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-ethylethanimine

C25H41N — CID 168883714

IUPAC1-[(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-ethylethanimine
SMILESC=C/C=C1/CCC2C(CCC3(C)C(/C(C)=N/CC)CCC23)C1(C)CCC
InChIInChI=1S/C25H41N/c1-7-10-19-11-12-20-22-14-13-21(18(4)26-9-3)25(22,6)17-15-23(20)24(19,5)16-8-2/h7,10,20-23H,1,8-9,11-17H2,2-6H3/b19-10-,26-18+
InChIKeyPNOUBQZKAJAREV-PRDLSZKESA-N
MW355.61 g/mol
LogP7.24
Rot. Bonds5

About 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-ethylethanimine

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-ethylethanimine (PubChem CID 168883714) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is 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-ethylethanimine.

Molecular Properties

Compound Name1-[(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-ethylethanimine
PubChem CID168883714
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Name1-[(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-ethylethanimine
SMILESC=C/C=C1/CCC2C(CCC3(C)C(/C(C)=N/CC)CCC23)C1(C)CCC
InChIInChI=1S/C25H41N/c1-7-10-19-11-12-20-22-14-13-21(18(4)26-9-3)25(22,6)17-15-23(20)24(19,5)16-8-2/h7,10,20-23H,1,8-9,11-17H2,2-6H3/b19-10-,26-18+
InChIKeyPNOUBQZKAJAREV-PRDLSZKESA-N
XLogP7.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 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-ethylethanimine?
The IUPAC name of 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-ethylethanimine (CID 168883714) is 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-ethylethanimine.
What is the SMILES notation for 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-ethylethanimine?
The canonical SMILES for 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-ethylethanimine is C=C/C=C1/CCC2C(CCC3(C)C(/C(C)=N/CC)CCC23)C1(C)CCC.
What is the InChIKey of 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-ethylethanimine?
The InChIKey is PNOUBQZKAJAREV-PRDLSZKESA-N. The full InChI is InChI=1S/C25H41N/c1-7-10-19-11-12-20-22-14-13-21(18(4)26-9-3)25(22,6)17-15-23(20)24(19,5)16-8-2/h7,10,20-23H,1,8-9,11-17H2,2-6H3/b19-10-,26-18+.
What are the key properties of 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-ethylethanimine?
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-ethylethanimine has a molecular weight of 355.61 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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-ethylethanimine is sourced from PubChem (CID 168883714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).