3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine

C12H22N2 — CID 70010062

IUPAC3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine
SMILESNC=CCC1CCC(CC=CN)CC1
InChIInChI=1S/C12H22N2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h1-2,9-12H,3-8,13-14H2
InChIKeyJVARFDDXSMFHFQ-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.52
Rot. Bonds4

About 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine

3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine (PubChem CID 70010062) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine
PubChem CID70010062
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine
SMILESNC=CCC1CCC(CC=CN)CC1
InChIInChI=1S/C12H22N2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h1-2,9-12H,3-8,13-14H2
InChIKeyJVARFDDXSMFHFQ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine?
The IUPAC name of 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine (CID 70010062) is 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine.
What is the SMILES notation for 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine?
The canonical SMILES for 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine is NC=CCC1CCC(CC=CN)CC1.
What is the InChIKey of 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine?
The InChIKey is JVARFDDXSMFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h1-2,9-12H,3-8,13-14H2.
What are the key properties of 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine?
3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminoprop-2-enyl)cyclohexyl]prop-1-en-1-amine is sourced from PubChem (CID 70010062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).