1,3-dichloropropane;N-methylmethanamine

C5H13Cl2N — CID 88659827

IUPAC1,3-dichloropropane;N-methylmethanamine
SMILESCNC.ClCCCCl
InChIInChI=1S/C3H6Cl2.C2H7N/c4-2-1-3-5;1-3-2/h1-3H2;3H,1-2H3
InChIKeyRFDMYILXDDLRPW-UHFFFAOYSA-N
MW158.07 g/mol
LogP1.69
Rot. Bonds2

About 1,3-dichloropropane;N-methylmethanamine

1,3-dichloropropane;N-methylmethanamine (PubChem CID 88659827) has the molecular formula C5H13Cl2N and a molecular weight of 158.07 g/mol. Its IUPAC name is 1,3-dichloropropane;N-methylmethanamine.

Molecular Properties

Compound Name1,3-dichloropropane;N-methylmethanamine
PubChem CID88659827
Molecular FormulaC5H13Cl2N
Molecular Weight158.07 g/mol
Exact Mass157.04
IUPAC Name1,3-dichloropropane;N-methylmethanamine
SMILESCNC.ClCCCCl
InChIInChI=1S/C3H6Cl2.C2H7N/c4-2-1-3-5;1-3-2/h1-3H2;3H,1-2H3
InChIKeyRFDMYILXDDLRPW-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 51.69
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 1,3-dichloropropane;N-methylmethanamine?
The IUPAC name of 1,3-dichloropropane;N-methylmethanamine (CID 88659827) is 1,3-dichloropropane;N-methylmethanamine.
What is the SMILES notation for 1,3-dichloropropane;N-methylmethanamine?
The canonical SMILES for 1,3-dichloropropane;N-methylmethanamine is CNC.ClCCCCl.
What is the InChIKey of 1,3-dichloropropane;N-methylmethanamine?
The InChIKey is RFDMYILXDDLRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2.C2H7N/c4-2-1-3-5;1-3-2/h1-3H2;3H,1-2H3.
What are the key properties of 1,3-dichloropropane;N-methylmethanamine?
1,3-dichloropropane;N-methylmethanamine has a molecular weight of 158.07 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropane;N-methylmethanamine is sourced from PubChem (CID 88659827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).