1-chloropropane;N-methylmethanamine;hydrochloride

C5H15Cl2N — CID 22609832

IUPAC1-chloropropane;N-methylmethanamine;hydrochloride
SMILESCCCCl.CNC.Cl
InChIInChI=1S/C3H7Cl.C2H7N.ClH/c1-2-3-4;1-3-2;/h2-3H2,1H3;3H,1-2H3;1H
InChIKeyXVDNWWDKGLBJFJ-UHFFFAOYSA-N
MW160.09 g/mol
LogP1.89
Rot. Bonds1

About 1-chloropropane;N-methylmethanamine;hydrochloride

1-chloropropane;N-methylmethanamine;hydrochloride (PubChem CID 22609832) has the molecular formula C5H15Cl2N and a molecular weight of 160.09 g/mol. Its IUPAC name is 1-chloropropane;N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-chloropropane;N-methylmethanamine;hydrochloride
PubChem CID22609832
Molecular FormulaC5H15Cl2N
Molecular Weight160.09 g/mol
Exact Mass159.06
IUPAC Name1-chloropropane;N-methylmethanamine;hydrochloride
SMILESCCCCl.CNC.Cl
InChIInChI=1S/C3H7Cl.C2H7N.ClH/c1-2-3-4;1-3-2;/h2-3H2,1H3;3H,1-2H3;1H
InChIKeyXVDNWWDKGLBJFJ-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.09
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;N-methylmethanamine;hydrochloride?
The IUPAC name of 1-chloropropane;N-methylmethanamine;hydrochloride (CID 22609832) is 1-chloropropane;N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-chloropropane;N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-chloropropane;N-methylmethanamine;hydrochloride is CCCCl.CNC.Cl.
What is the InChIKey of 1-chloropropane;N-methylmethanamine;hydrochloride?
The InChIKey is XVDNWWDKGLBJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl.C2H7N.ClH/c1-2-3-4;1-3-2;/h2-3H2,1H3;3H,1-2H3;1H.
What are the key properties of 1-chloropropane;N-methylmethanamine;hydrochloride?
1-chloropropane;N-methylmethanamine;hydrochloride has a molecular weight of 160.09 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;N-methylmethanamine;hydrochloride is sourced from PubChem (CID 22609832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).