1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine

C32H49N — CID 166655611

IUPAC1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine
SMILESC=C/C=C1/CCC2C(C(C3C=CC(N4CCCC4)=CC3)CC3(C)C(C)CCC23)C1(C)CCC
InChIInChI=1S/C32H49N/c1-6-10-25-14-17-27-29-18-11-23(3)32(29,5)22-28(30(27)31(25,4)19-7-2)24-12-15-26(16-13-24)33-20-8-9-21-33/h6,10,12,15-16,23-24,27-30H,1,7-9,11,13-14,17-22H2,2-5H3/b25-10-
InChIKeyAGZWEIITEWTJHY-MRUKODCESA-N
MW447.75 g/mol
LogP8.56
Rot. Bonds5

About 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine

1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine (PubChem CID 166655611) has the molecular formula C32H49N and a molecular weight of 447.75 g/mol. Its IUPAC name is 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine
PubChem CID166655611
Molecular FormulaC32H49N
Molecular Weight447.75 g/mol
Exact Mass447.39
IUPAC Name1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine
SMILESC=C/C=C1/CCC2C(C(C3C=CC(N4CCCC4)=CC3)CC3(C)C(C)CCC23)C1(C)CCC
InChIInChI=1S/C32H49N/c1-6-10-25-14-17-27-29-18-11-23(3)32(29,5)22-28(30(27)31(25,4)19-7-2)24-12-15-26(16-13-24)33-20-8-9-21-33/h6,10,12,15-16,23-24,27-30H,1,7-9,11,13-14,17-22H2,2-5H3/b25-10-
InChIKeyAGZWEIITEWTJHY-MRUKODCESA-N
XLogP8.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.75
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine with MolForge

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Related Compounds

1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethanimine;2-ethylpiperidine;formaldehyde;methanamine;methanol
CID 168883992
[(E)-1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]oxycarbamic acid
CID 168883622
3,3a,6-trimethyl-7-methylidene-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol
CID 142985288
(7Z)-3-ethyl-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene
CID 143236819
(2Z)-2-(6-ethyl-2,3,7-trimethyl-2-propylcyclodecylidene)acetaldehyde
CID 143830266
1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-N-(6-fluoro-6-methyloctyl)ethanimine
CID 168883709
3,3a,6-trimethyl-7-methylidene-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol;ethane;methanamine;methane;methanol
CID 142985287
3-[1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]-N-methyl-N-(2-pyrrolidin-2-ylethyl)prop-1-en-2-amine;methane
CID 168883641
N-[3-[1-[(7Z)-3a,6-dimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]ethylideneamino]prop-1-en-2-yl]-2-methyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 168883722
(2Z)-2-[5-hydroxy-3,3a,6-trimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde;N-methylpyridin-2-amine
CID 143830263
(7Z,9R)-3a,6,9-trimethyl-3-(2-methylidenebutyl)-7-prop-2-enylidene-6-propyl-1,2,3,4,8,9,9a,9b-octahydrocyclopenta[a]naphthalene;ethane
CID 143113717
(2Z)-2-[3-but-1-enyl-5-hydroxy-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde
CID 142854517

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine?
The IUPAC name of 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine (CID 166655611) is 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine.
What is the SMILES notation for 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine?
The canonical SMILES for 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine is C=C/C=C1/CCC2C(C(C3C=CC(N4CCCC4)=CC3)CC3(C)C(C)CCC23)C1(C)CCC.
What is the InChIKey of 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine?
The InChIKey is AGZWEIITEWTJHY-MRUKODCESA-N. The full InChI is InChI=1S/C32H49N/c1-6-10-25-14-17-27-29-18-11-23(3)32(29,5)22-28(30(27)31(25,4)19-7-2)24-12-15-26(16-13-24)33-20-8-9-21-33/h6,10,12,15-16,23-24,27-30H,1,7-9,11,13-14,17-22H2,2-5H3/b25-10-.
What are the key properties of 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine?
1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine has a molecular weight of 447.75 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7Z)-3,3a,6-trimethyl-7-prop-2-enylidene-6-propyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine is sourced from PubChem (CID 166655611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).