N-methylhex-1-en-1-amine

C7H15N — CID 86641378

IUPACN-methylhex-1-en-1-amine
SMILESCCCCC=CNC
InChIInChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h6-8H,3-5H2,1-2H3
InChIKeyQLSTWGZDXAHREY-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds4

About N-methylhex-1-en-1-amine

N-methylhex-1-en-1-amine (PubChem CID 86641378) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-methylhex-1-en-1-amine.

Molecular Properties

Compound NameN-methylhex-1-en-1-amine
PubChem CID86641378
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-methylhex-1-en-1-amine
SMILESCCCCC=CNC
InChIInChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h6-8H,3-5H2,1-2H3
InChIKeyQLSTWGZDXAHREY-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 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 ≤ 51.91
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 N-methylhex-1-en-1-amine?
The IUPAC name of N-methylhex-1-en-1-amine (CID 86641378) is N-methylhex-1-en-1-amine.
What is the SMILES notation for N-methylhex-1-en-1-amine?
The canonical SMILES for N-methylhex-1-en-1-amine is CCCCC=CNC.
What is the InChIKey of N-methylhex-1-en-1-amine?
The InChIKey is QLSTWGZDXAHREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h6-8H,3-5H2,1-2H3.
What are the key properties of N-methylhex-1-en-1-amine?
N-methylhex-1-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-1-en-1-amine is sourced from PubChem (CID 86641378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).