3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine

C15H25NO — CID 123227496

IUPAC3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
SMILESC=CC(OC)=C1CCC(NCCC)CC1=CC
InChIInChI=1S/C15H25NO/c1-5-10-16-13-8-9-14(12(6-2)11-13)15(7-3)17-4/h6-7,13,16H,3,5,8-11H2,1-2,4H3
InChIKeyXOODRLPBPZUYIK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.57
Rot. Bonds5

About 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine

3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine (PubChem CID 123227496) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
PubChem CID123227496
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine
SMILESC=CC(OC)=C1CCC(NCCC)CC1=CC
InChIInChI=1S/C15H25NO/c1-5-10-16-13-8-9-14(12(6-2)11-13)15(7-3)17-4/h6-7,13,16H,3,5,8-11H2,1-2,4H3
InChIKeyXOODRLPBPZUYIK-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(6-Fluoro-2-methoxycyclohepta-1,3,6-trien-1-yl)pyrrolidine
CID 134386201
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
5-[(3-Methoxycyclohexa-2,4-dien-1-ylidene)methyl]-1,4-diazocane
CID 91030497
1-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-2,4-dien-1-yl)-N-methylpropan-2-amine
CID 118245174
N-[2-(4-methoxycyclohexa-1,3-dien-1-yl)ethyl]propan-2-amine
CID 121257797
6-Methoxy-7-propan-2-yl-1,2,8,8a-tetrahydroquinoline
CID 122544062
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
5-(2-Methoxycyclohexa-2,4-dien-1-ylidene)hexan-3-amine
CID 123645511
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine (CID 123227496) is 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine is C=CC(OC)=C1CCC(NCCC)CC1=CC.
What is the InChIKey of 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine?
The InChIKey is XOODRLPBPZUYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-10-16-13-8-9-14(12(6-2)11-13)15(7-3)17-4/h6-7,13,16H,3,5,8-11H2,1-2,4H3.
What are the key properties of 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine?
3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-4-(1-methoxyprop-2-enylidene)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 123227496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).