hept-6-en-2-amine

C7H15N — CID 54516059

IUPAChept-6-en-2-amine
SMILESC=CCCCC(C)N
InChIInChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3,7H,1,4-6,8H2,2H3
InChIKeyAGBVYRPRJCPFPY-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds4

About hept-6-en-2-amine

hept-6-en-2-amine (PubChem CID 54516059) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is hept-6-en-2-amine.

Molecular Properties

Compound Namehept-6-en-2-amine
PubChem CID54516059
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Namehept-6-en-2-amine
SMILESC=CCCCC(C)N
InChIInChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3,7H,1,4-6,8H2,2H3
InChIKeyAGBVYRPRJCPFPY-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-6-en-2-amine?
The IUPAC name of hept-6-en-2-amine (CID 54516059) is hept-6-en-2-amine.
What is the SMILES notation for hept-6-en-2-amine?
The canonical SMILES for hept-6-en-2-amine is C=CCCCC(C)N.
What is the InChIKey of hept-6-en-2-amine?
The InChIKey is AGBVYRPRJCPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-4-5-6-7(2)8/h3,7H,1,4-6,8H2,2H3.
What are the key properties of hept-6-en-2-amine?
hept-6-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-en-2-amine is sourced from PubChem (CID 54516059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).