1-chloro-N-prop-2-enylpentan-1-amine

C8H16ClN — CID 174903692

IUPAC1-chloro-N-prop-2-enylpentan-1-amine
SMILESC=CCNC(Cl)CCCC
InChIInChI=1S/C8H16ClN/c1-3-5-6-8(9)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3
InChIKeyQZKIWWWDWBLFNG-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.52
Rot. Bonds6

About 1-chloro-N-prop-2-enylpentan-1-amine

1-chloro-N-prop-2-enylpentan-1-amine (PubChem CID 174903692) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 1-chloro-N-prop-2-enylpentan-1-amine.

Molecular Properties

Compound Name1-chloro-N-prop-2-enylpentan-1-amine
PubChem CID174903692
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name1-chloro-N-prop-2-enylpentan-1-amine
SMILESC=CCNC(Cl)CCCC
InChIInChI=1S/C8H16ClN/c1-3-5-6-8(9)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3
InChIKeyQZKIWWWDWBLFNG-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-prop-2-enylpentan-1-amine?
The IUPAC name of 1-chloro-N-prop-2-enylpentan-1-amine (CID 174903692) is 1-chloro-N-prop-2-enylpentan-1-amine.
What is the SMILES notation for 1-chloro-N-prop-2-enylpentan-1-amine?
The canonical SMILES for 1-chloro-N-prop-2-enylpentan-1-amine is C=CCNC(Cl)CCCC.
What is the InChIKey of 1-chloro-N-prop-2-enylpentan-1-amine?
The InChIKey is QZKIWWWDWBLFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-3-5-6-8(9)10-7-4-2/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 1-chloro-N-prop-2-enylpentan-1-amine?
1-chloro-N-prop-2-enylpentan-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-prop-2-enylpentan-1-amine is sourced from PubChem (CID 174903692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).