cyclohexane;propan-1-amine

C9H21N — CID 159085812

IUPACcyclohexane;propan-1-amine
SMILESC1CCCCC1.CCCN
InChIInChI=1S/C6H12.C3H9N/c1-2-4-6-5-3-1;1-2-3-4/h1-6H2;2-4H2,1H3
InChIKeyKBKXIPFZIYAHSH-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.70
Rot. Bonds1

About cyclohexane;propan-1-amine

cyclohexane;propan-1-amine (PubChem CID 159085812) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is cyclohexane;propan-1-amine.

Molecular Properties

Compound Namecyclohexane;propan-1-amine
PubChem CID159085812
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Namecyclohexane;propan-1-amine
SMILESC1CCCCC1.CCCN
InChIInChI=1S/C6H12.C3H9N/c1-2-4-6-5-3-1;1-2-3-4/h1-6H2;2-4H2,1H3
InChIKeyKBKXIPFZIYAHSH-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;propan-1-amine?
The IUPAC name of cyclohexane;propan-1-amine (CID 159085812) is cyclohexane;propan-1-amine.
What is the SMILES notation for cyclohexane;propan-1-amine?
The canonical SMILES for cyclohexane;propan-1-amine is C1CCCCC1.CCCN.
What is the InChIKey of cyclohexane;propan-1-amine?
The InChIKey is KBKXIPFZIYAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C3H9N/c1-2-4-6-5-3-1;1-2-3-4/h1-6H2;2-4H2,1H3.
What are the key properties of cyclohexane;propan-1-amine?
cyclohexane;propan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;propan-1-amine is sourced from PubChem (CID 159085812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).