1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine

C12H22N2 — CID 70318630

IUPAC1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(N)C1(C(N)C=C)CCCCC1
InChIInChI=1S/C12H22N2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11H,1-2,5-9,13-14H2
InChIKeyWAMJYLMVZZDZOI-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.96
Rot. Bonds4

About 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine

1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine (PubChem CID 70318630) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine
PubChem CID70318630
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine
SMILESC=CC(N)C1(C(N)C=C)CCCCC1
InChIInChI=1S/C12H22N2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11H,1-2,5-9,13-14H2
InChIKeyWAMJYLMVZZDZOI-UHFFFAOYSA-N
XLogP1.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine?
The IUPAC name of 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine (CID 70318630) is 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine.
What is the SMILES notation for 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine?
The canonical SMILES for 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine is C=CC(N)C1(C(N)C=C)CCCCC1.
What is the InChIKey of 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine?
The InChIKey is WAMJYLMVZZDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-10(13)12(11(14)4-2)8-6-5-7-9-12/h3-4,10-11H,1-2,5-9,13-14H2.
What are the key properties of 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine?
1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-aminoprop-2-enyl)cyclohexyl]prop-2-en-1-amine is sourced from PubChem (CID 70318630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).