ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol

C18H33NO — CID 156639075

IUPACethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
SMILESC=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1.CC
InChIInChI=1S/C16H27NO.C2H6/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18;1-2/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3;1-2H3/b6-4-,14-8+;
InChIKeyRWVYALBBIQEEQB-VQBJHNTESA-N
MW279.47 g/mol
LogP4.23
Rot. Bonds7

About ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol

ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol (PubChem CID 156639075) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Nameethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
PubChem CID156639075
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Nameethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
SMILESC=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1.CC
InChIInChI=1S/C16H27NO.C2H6/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18;1-2/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3;1-2H3/b6-4-,14-8+;
InChIKeyRWVYALBBIQEEQB-VQBJHNTESA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[[(3E,5E)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dienyl]amino]-3-methylbutyl]cyclohexan-1-ol
CID 172235557
5-[1-[(5S)-4-(2-aminoethyl)-3-[(3S)-3-amino-5-methylhexyl]-5-methylcyclohexa-1,3-dien-1-yl]ethylamino]pentan-1-ol
CID 117861849
(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol
CID 126662991
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
CID 141177622
1-[3-(5-Methylcyclohexa-1,3-dien-1-yl)-1-azaspiro[4.5]decan-4-yl]propan-1-ol
CID 169941249
4-[2-[[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]amino]-2-methylpropyl]cyclohexan-1-ol
CID 172235460
3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
CID 156639076
11-[(1-Ethylcyclohexa-2,4-dien-1-yl)amino]undecan-1-ol
CID 174760806

Frequently Asked Questions

What is the IUPAC name of ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The IUPAC name of ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol (CID 156639075) is ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol is C=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1.CC.
What is the InChIKey of ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The InChIKey is RWVYALBBIQEEQB-VQBJHNTESA-N. The full InChI is InChI=1S/C16H27NO.C2H6/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18;1-2/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3;1-2H3/b6-4-,14-8+;.
What are the key properties of ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol has a molecular weight of 279.47 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 156639075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).