(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine

C18H27N — CID 138637485

IUPAC(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine
SMILESC=C/C(C)=C\C=C(/C/C(C)=C(\C=C)CC1CC1)NC
InChIInChI=1S/C18H27N/c1-6-14(3)8-11-18(19-5)12-15(4)17(7-2)13-16-9-10-16/h6-8,11,16,19H,1-2,9-10,12-13H2,3-5H3/b14-8-,17-15+,18-11+
InChIKeyNAEOFUDEZLOIBV-RNMRVBDVSA-N
MW257.42 g/mol
LogP4.91
Rot. Bonds8

About (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine

(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine (PubChem CID 138637485) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine.

Molecular Properties

Compound Name(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine
PubChem CID138637485
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine
SMILESC=C/C(C)=C\C=C(/C/C(C)=C(\C=C)CC1CC1)NC
InChIInChI=1S/C18H27N/c1-6-14(3)8-11-18(19-5)12-15(4)17(7-2)13-16-9-10-16/h6-8,11,16,19H,1-2,9-10,12-13H2,3-5H3/b14-8-,17-15+,18-11+
InChIKeyNAEOFUDEZLOIBV-RNMRVBDVSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
4-methylidene-2,3-di(propan-2-yl)-1H-pyridine
CID 60125671
N-[cyclohexa-2,4-dien-1-yl(cyclopropylidene)methyl]-3-(2-methylidenecyclopropyl)propan-1-amine
CID 68344208
(3E)-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
CID 88928211
(2S,3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
CID 88941039
(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine
CID 88941045
(2R,3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
CID 88941046
(3E,5Z)-4-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylhepta-3,5-dien-1-amine
CID 88941049
(2S,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine
CID 88941050
2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine
CID 88941242
(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine
CID 88993019
N-ethenyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 88997056

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine?
The IUPAC name of (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine (CID 138637485) is (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine.
What is the SMILES notation for (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine?
The canonical SMILES for (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine is C=C/C(C)=C\C=C(/C/C(C)=C(\C=C)CC1CC1)NC.
What is the InChIKey of (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine?
The InChIKey is NAEOFUDEZLOIBV-RNMRVBDVSA-N. The full InChI is InChI=1S/C18H27N/c1-6-14(3)8-11-18(19-5)12-15(4)17(7-2)13-16-9-10-16/h6-8,11,16,19H,1-2,9-10,12-13H2,3-5H3/b14-8-,17-15+,18-11+.
What are the key properties of (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine?
(3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine has a molecular weight of 257.42 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8Z)-9-(cyclopropylmethyl)-N,3,8-trimethylundeca-1,3,5,8,10-pentaen-6-amine is sourced from PubChem (CID 138637485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).