4-ethyl-N-methylhept-1-en-3-amine

C10H21N — CID 89163068

IUPAC4-ethyl-N-methylhept-1-en-3-amine
SMILESC=CC(NC)C(CC)CCC
InChIInChI=1S/C10H21N/c1-5-8-9(6-2)10(7-3)11-4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyUZGZSRCLNRMVPI-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds6

About 4-ethyl-N-methylhept-1-en-3-amine

4-ethyl-N-methylhept-1-en-3-amine (PubChem CID 89163068) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 4-ethyl-N-methylhept-1-en-3-amine.

Molecular Properties

Compound Name4-ethyl-N-methylhept-1-en-3-amine
PubChem CID89163068
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name4-ethyl-N-methylhept-1-en-3-amine
SMILESC=CC(NC)C(CC)CCC
InChIInChI=1S/C10H21N/c1-5-8-9(6-2)10(7-3)11-4/h7,9-11H,3,5-6,8H2,1-2,4H3
InChIKeyUZGZSRCLNRMVPI-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methylhept-1-en-3-amine?
The IUPAC name of 4-ethyl-N-methylhept-1-en-3-amine (CID 89163068) is 4-ethyl-N-methylhept-1-en-3-amine.
What is the SMILES notation for 4-ethyl-N-methylhept-1-en-3-amine?
The canonical SMILES for 4-ethyl-N-methylhept-1-en-3-amine is C=CC(NC)C(CC)CCC.
What is the InChIKey of 4-ethyl-N-methylhept-1-en-3-amine?
The InChIKey is UZGZSRCLNRMVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-8-9(6-2)10(7-3)11-4/h7,9-11H,3,5-6,8H2,1-2,4H3.
What are the key properties of 4-ethyl-N-methylhept-1-en-3-amine?
4-ethyl-N-methylhept-1-en-3-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methylhept-1-en-3-amine is sourced from PubChem (CID 89163068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).