heptan-1-amine

C7H17N — CID 8127

IUPACheptan-1-amine
SMILESCCCCCCCN
InChIInChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
InChIKeyWJYIASZWHGOTOU-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.92
Rot. Bonds5

About heptan-1-amine

heptan-1-amine (PubChem CID 8127) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is heptan-1-amine.

Molecular Properties

Compound Nameheptan-1-amine
PubChem CID8127
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Nameheptan-1-amine
SMILESCCCCCCCN
InChIInChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
InChIKeyWJYIASZWHGOTOU-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.92
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 heptan-1-amine?
The IUPAC name of heptan-1-amine (CID 8127) is heptan-1-amine.
What is the SMILES notation for heptan-1-amine?
The canonical SMILES for heptan-1-amine is CCCCCCCN.
What is the InChIKey of heptan-1-amine?
The InChIKey is WJYIASZWHGOTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3.
What are the key properties of heptan-1-amine?
heptan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-1-amine is sourced from PubChem (CID 8127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).