N-ethenylpentan-1-amine

C7H14N+ — CID 163550977

IUPACN-ethenylpentan-1-amine
SMILESC=CNCCCC[CH2+]
InChIInChI=1S/C7H14N/c1-3-5-6-7-8-4-2/h4,8H,1-3,5-7H2/q+1
InChIKeyFJBAUBGRRYKCQV-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.72
Rot. Bonds5

About N-ethenylpentan-1-amine

N-ethenylpentan-1-amine (PubChem CID 163550977) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is N-ethenylpentan-1-amine.

Molecular Properties

Compound NameN-ethenylpentan-1-amine
PubChem CID163550977
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC NameN-ethenylpentan-1-amine
SMILESC=CNCCCC[CH2+]
InChIInChI=1S/C7H14N/c1-3-5-6-7-8-4-2/h4,8H,1-3,5-7H2/q+1
InChIKeyFJBAUBGRRYKCQV-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethenylpentan-1-amine?
The IUPAC name of N-ethenylpentan-1-amine (CID 163550977) is N-ethenylpentan-1-amine.
What is the SMILES notation for N-ethenylpentan-1-amine?
The canonical SMILES for N-ethenylpentan-1-amine is C=CNCCCC[CH2+].
What is the InChIKey of N-ethenylpentan-1-amine?
The InChIKey is FJBAUBGRRYKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-3-5-6-7-8-4-2/h4,8H,1-3,5-7H2/q+1.
What are the key properties of N-ethenylpentan-1-amine?
N-ethenylpentan-1-amine has a molecular weight of 112.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylpentan-1-amine is sourced from PubChem (CID 163550977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).