1-chloro-N-methylpropan-1-amine

C4H10ClN — CID 87594605

IUPAC1-chloro-N-methylpropan-1-amine
SMILESCCC(Cl)NC
InChIInChI=1S/C4H10ClN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3
InChIKeyMAQAHCBWMBGMBK-UHFFFAOYSA-N
MW107.58 g/mol
LogP1.18
Rot. Bonds2

About 1-chloro-N-methylpropan-1-amine

1-chloro-N-methylpropan-1-amine (PubChem CID 87594605) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 1-chloro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-chloro-N-methylpropan-1-amine
PubChem CID87594605
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name1-chloro-N-methylpropan-1-amine
SMILESCCC(Cl)NC
InChIInChI=1S/C4H10ClN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3
InChIKeyMAQAHCBWMBGMBK-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-methylpropan-1-amine?
The IUPAC name of 1-chloro-N-methylpropan-1-amine (CID 87594605) is 1-chloro-N-methylpropan-1-amine.
What is the SMILES notation for 1-chloro-N-methylpropan-1-amine?
The canonical SMILES for 1-chloro-N-methylpropan-1-amine is CCC(Cl)NC.
What is the InChIKey of 1-chloro-N-methylpropan-1-amine?
The InChIKey is MAQAHCBWMBGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3.
What are the key properties of 1-chloro-N-methylpropan-1-amine?
1-chloro-N-methylpropan-1-amine has a molecular weight of 107.58 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-methylpropan-1-amine is sourced from PubChem (CID 87594605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).