1-(4-methylidenecyclohexyl)ethanamine

C9H17N — CID 91591307

IUPAC1-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(C(C)N)CC1
InChIInChI=1S/C9H17N/c1-7-3-5-9(6-4-7)8(2)10/h8-9H,1,3-6,10H2,2H3
InChIKeyRVESVDCJBASDNV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds1

About 1-(4-methylidenecyclohexyl)ethanamine

1-(4-methylidenecyclohexyl)ethanamine (PubChem CID 91591307) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylidenecyclohexyl)ethanamine
PubChem CID91591307
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-(4-methylidenecyclohexyl)ethanamine
SMILESC=C1CCC(C(C)N)CC1
InChIInChI=1S/C9H17N/c1-7-3-5-9(6-4-7)8(2)10/h8-9H,1,3-6,10H2,2H3
InChIKeyRVESVDCJBASDNV-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-7-enylazanium
CID 72200507
2-(Prop-2-en-1-yl)cyclohexan-1-amine
CID 12910255
rac-(1R,3R)-3-ethenylcyclohexan-1-amine hydrochloride
CID 136589282
3,7-Dimethyloct-7-en-1-amine
CID 53497564
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
1-Cyclohexylpent-4-en-1-amine
CID 64298707
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
2-(4-Methylidenecyclohexyl)ethanamine
CID 89029468
4-Ethyl-2-fluoro-5-methylcyclohex-3-en-1-amine
CID 89749912
1-[(1R)-4-(fluoromethyl)-2-prop-1-en-2-ylcyclohexyl]ethanamine
CID 118401831
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
(2S)-4-[(Z)-but-2-en-2-yl]-2-fluorocyclohexan-1-amine
CID 173805474

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexyl)ethanamine?
The IUPAC name of 1-(4-methylidenecyclohexyl)ethanamine (CID 91591307) is 1-(4-methylidenecyclohexyl)ethanamine.
What is the SMILES notation for 1-(4-methylidenecyclohexyl)ethanamine?
The canonical SMILES for 1-(4-methylidenecyclohexyl)ethanamine is C=C1CCC(C(C)N)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexyl)ethanamine?
The InChIKey is RVESVDCJBASDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-3-5-9(6-4-7)8(2)10/h8-9H,1,3-6,10H2,2H3.
What are the key properties of 1-(4-methylidenecyclohexyl)ethanamine?
1-(4-methylidenecyclohexyl)ethanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexyl)ethanamine is sourced from PubChem (CID 91591307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).