3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine

C12H21N — CID 91159090

IUPAC3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(C)C1CC(N)CC(C(=C)C)C1
InChIInChI=1S/C12H21N/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h10-12H,1,3,5-7,13H2,2,4H3
InChIKeyQSVCBKXWJHYVCH-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.88
Rot. Bonds2

About 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine

3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine (PubChem CID 91159090) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine
PubChem CID91159090
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(C)C1CC(N)CC(C(=C)C)C1
InChIInChI=1S/C12H21N/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h10-12H,1,3,5-7,13H2,2,4H3
InChIKeyQSVCBKXWJHYVCH-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.88
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 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine?
The IUPAC name of 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine (CID 91159090) is 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine is C=C(C)C1CC(N)CC(C(=C)C)C1.
What is the InChIKey of 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine?
The InChIKey is QSVCBKXWJHYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(2)10-5-11(9(3)4)7-12(13)6-10/h10-12H,1,3,5-7,13H2,2,4H3.
What are the key properties of 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine?
3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(prop-1-en-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 91159090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).