cyclohexane;pentan-1-amine

C11H25N — CID 67995993

IUPACcyclohexane;pentan-1-amine
SMILESC1CCCCC1.CCCCCN
InChIInChI=1S/C6H12.C5H13N/c1-2-4-6-5-3-1;1-2-3-4-5-6/h1-6H2;2-6H2,1H3
InChIKeyCYNVKXMXDBJFLC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.48
Rot. Bonds3

About cyclohexane;pentan-1-amine

cyclohexane;pentan-1-amine (PubChem CID 67995993) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is cyclohexane;pentan-1-amine.

Molecular Properties

Compound Namecyclohexane;pentan-1-amine
PubChem CID67995993
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Namecyclohexane;pentan-1-amine
SMILESC1CCCCC1.CCCCCN
InChIInChI=1S/C6H12.C5H13N/c1-2-4-6-5-3-1;1-2-3-4-5-6/h1-6H2;2-6H2,1H3
InChIKeyCYNVKXMXDBJFLC-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;pentan-1-amine?
The IUPAC name of cyclohexane;pentan-1-amine (CID 67995993) is cyclohexane;pentan-1-amine.
What is the SMILES notation for cyclohexane;pentan-1-amine?
The canonical SMILES for cyclohexane;pentan-1-amine is C1CCCCC1.CCCCCN.
What is the InChIKey of cyclohexane;pentan-1-amine?
The InChIKey is CYNVKXMXDBJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H13N/c1-2-4-6-5-3-1;1-2-3-4-5-6/h1-6H2;2-6H2,1H3.
What are the key properties of cyclohexane;pentan-1-amine?
cyclohexane;pentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;pentan-1-amine is sourced from PubChem (CID 67995993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).