3-cyclohexylprop-1-en-1-amine

C9H17N — CID 54153913

IUPAC3-cyclohexylprop-1-en-1-amine
SMILESNC=CCC1CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7,10H2
InChIKeyDJUKHMOROIPRGK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.43
Rot. Bonds2

About 3-cyclohexylprop-1-en-1-amine

3-cyclohexylprop-1-en-1-amine (PubChem CID 54153913) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-cyclohexylprop-1-en-1-amine.

Molecular Properties

Compound Name3-cyclohexylprop-1-en-1-amine
PubChem CID54153913
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-cyclohexylprop-1-en-1-amine
SMILESNC=CCC1CCCCC1
InChIInChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7,10H2
InChIKeyDJUKHMOROIPRGK-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(Z)-3-cyclohexylprop-1-en-1-amine
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2-cyclohexyl-N-ethylethenamine
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(E)-3-cyclopentylprop-1-en-1-amine
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6-Amino-2-cyclohexylhex-5-enenitrile
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3-(2-Pentylcyclohexyl)prop-1-en-1-amine
CID 68143688
(E)-2-cyclohexylethenamine
CID 68151105
2-Cyclohexylethenamine
CID 68446732
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylprop-1-en-1-amine?
The IUPAC name of 3-cyclohexylprop-1-en-1-amine (CID 54153913) is 3-cyclohexylprop-1-en-1-amine.
What is the SMILES notation for 3-cyclohexylprop-1-en-1-amine?
The canonical SMILES for 3-cyclohexylprop-1-en-1-amine is NC=CCC1CCCCC1.
What is the InChIKey of 3-cyclohexylprop-1-en-1-amine?
The InChIKey is DJUKHMOROIPRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c10-8-4-7-9-5-2-1-3-6-9/h4,8-9H,1-3,5-7,10H2.
What are the key properties of 3-cyclohexylprop-1-en-1-amine?
3-cyclohexylprop-1-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylprop-1-en-1-amine is sourced from PubChem (CID 54153913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).