2-prop-1-en-2-ylcyclohexan-1-amine

C9H17N — CID 14975386

IUPAC2-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCCCC1N
InChIInChI=1S/C9H17N/c1-7(2)8-5-3-4-6-9(8)10/h8-9H,1,3-6,10H2,2H3
InChIKeyYJMBJVOVOZZIBB-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds1

About 2-prop-1-en-2-ylcyclohexan-1-amine

2-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 14975386) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID14975386
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)C1CCCCC1N
InChIInChI=1S/C9H17N/c1-7(2)8-5-3-4-6-9(8)10/h8-9H,1,3-6,10H2,2H3
InChIKeyYJMBJVOVOZZIBB-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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Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 2-prop-1-en-2-ylcyclohexan-1-amine (CID 14975386) is 2-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)C1CCCCC1N.
What is the InChIKey of 2-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is YJMBJVOVOZZIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)8-5-3-4-6-9(8)10/h8-9H,1,3-6,10H2,2H3.
What are the key properties of 2-prop-1-en-2-ylcyclohexan-1-amine?
2-prop-1-en-2-ylcyclohexan-1-amine 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 2-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 14975386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).