1,2-dipropylcyclohexan-1-amine

C12H25N — CID 19366541

IUPAC1,2-dipropylcyclohexan-1-amine
SMILESCCCC1CCCCC1(N)CCC
InChIInChI=1S/C12H25N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10,13H2,1-2H3
InChIKeyQBNZGWSQUCSWNQ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.47
Rot. Bonds4

About 1,2-dipropylcyclohexan-1-amine

1,2-dipropylcyclohexan-1-amine (PubChem CID 19366541) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1,2-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name1,2-dipropylcyclohexan-1-amine
PubChem CID19366541
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1,2-dipropylcyclohexan-1-amine
SMILESCCCC1CCCCC1(N)CCC
InChIInChI=1S/C12H25N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10,13H2,1-2H3
InChIKeyQBNZGWSQUCSWNQ-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dipropylcyclohexan-1-amine?
The IUPAC name of 1,2-dipropylcyclohexan-1-amine (CID 19366541) is 1,2-dipropylcyclohexan-1-amine.
What is the SMILES notation for 1,2-dipropylcyclohexan-1-amine?
The canonical SMILES for 1,2-dipropylcyclohexan-1-amine is CCCC1CCCCC1(N)CCC.
What is the InChIKey of 1,2-dipropylcyclohexan-1-amine?
The InChIKey is QBNZGWSQUCSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-7-11-8-5-6-10-12(11,13)9-4-2/h11H,3-10,13H2,1-2H3.
What are the key properties of 1,2-dipropylcyclohexan-1-amine?
1,2-dipropylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropylcyclohexan-1-amine is sourced from PubChem (CID 19366541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).