hept-1-en-1-amine

C7H15N — CID 73447107

IUPAChept-1-en-1-amine
SMILESCCCCCC=CN
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3
InChIKeyCTIVSZMFFGZVMI-UHFFFAOYSA-N
MW113.20 g/mol
LogP2.04
Rot. Bonds4

About hept-1-en-1-amine

hept-1-en-1-amine (PubChem CID 73447107) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is hept-1-en-1-amine.

Molecular Properties

Compound Namehept-1-en-1-amine
PubChem CID73447107
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Namehept-1-en-1-amine
SMILESCCCCCC=CN
InChIInChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3
InChIKeyCTIVSZMFFGZVMI-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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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Related Compounds

(E)-dec-1-en-1-amine
CID 21420709
butanedioic acid;bis(dodec-1-en-1-amine)
CID 175746189
N-deuteriotetradec-1-en-1-amine
CID 175715778
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of hept-1-en-1-amine?
The IUPAC name of hept-1-en-1-amine (CID 73447107) is hept-1-en-1-amine.
What is the SMILES notation for hept-1-en-1-amine?
The canonical SMILES for hept-1-en-1-amine is CCCCCC=CN.
What is the InChIKey of hept-1-en-1-amine?
The InChIKey is CTIVSZMFFGZVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h6-7H,2-5,8H2,1H3.
What are the key properties of hept-1-en-1-amine?
hept-1-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-en-1-amine is sourced from PubChem (CID 73447107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).