3-chloro-N-methylpropan-1-amine;hydrochloride

C4H11Cl2N — CID 22107021

IUPAC3-chloro-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H
InChIKeySHBWHBGVZIDIQY-UHFFFAOYSA-N
MW144.04 g/mol
LogP1.26
Rot. Bonds3

About 3-chloro-N-methylpropan-1-amine;hydrochloride

3-chloro-N-methylpropan-1-amine;hydrochloride (PubChem CID 22107021) has the molecular formula C4H11Cl2N and a molecular weight of 144.04 g/mol. Its IUPAC name is 3-chloro-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-methylpropan-1-amine;hydrochloride
PubChem CID22107021
Molecular FormulaC4H11Cl2N
Molecular Weight144.04 g/mol
Exact Mass143.03
IUPAC Name3-chloro-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCCl.Cl
InChIInChI=1S/C4H10ClN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H
InChIKeySHBWHBGVZIDIQY-UHFFFAOYSA-N
XLogP1.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.04
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-chloro-N-methylpropan-1-amine;hydrochloride (CID 22107021) is 3-chloro-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-chloro-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-chloro-N-methylpropan-1-amine;hydrochloride is CNCCCCl.Cl.
What is the InChIKey of 3-chloro-N-methylpropan-1-amine;hydrochloride?
The InChIKey is SHBWHBGVZIDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN.ClH/c1-6-4-2-3-5;/h6H,2-4H2,1H3;1H.
What are the key properties of 3-chloro-N-methylpropan-1-amine;hydrochloride?
3-chloro-N-methylpropan-1-amine;hydrochloride has a molecular weight of 144.04 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 22107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).