1-chloropentane;N-methylmethanamine

C7H18ClN — CID 18002091

IUPAC1-chloropentane;N-methylmethanamine
SMILESCCCCCCl.CNC
InChIInChI=1S/C5H11Cl.C2H7N/c1-2-3-4-5-6;1-3-2/h2-5H2,1H3;3H,1-2H3
InChIKeyJTPDXUJDXILJCW-UHFFFAOYSA-N
MW151.68 g/mol
LogP2.25
Rot. Bonds3

About 1-chloropentane;N-methylmethanamine

1-chloropentane;N-methylmethanamine (PubChem CID 18002091) has the molecular formula C7H18ClN and a molecular weight of 151.68 g/mol. Its IUPAC name is 1-chloropentane;N-methylmethanamine.

Molecular Properties

Compound Name1-chloropentane;N-methylmethanamine
PubChem CID18002091
Molecular FormulaC7H18ClN
Molecular Weight151.68 g/mol
Exact Mass151.11
IUPAC Name1-chloropentane;N-methylmethanamine
SMILESCCCCCCl.CNC
InChIInChI=1S/C5H11Cl.C2H7N/c1-2-3-4-5-6;1-3-2/h2-5H2,1H3;3H,1-2H3
InChIKeyJTPDXUJDXILJCW-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 52.25
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 1-chloropentane;N-methylmethanamine?
The IUPAC name of 1-chloropentane;N-methylmethanamine (CID 18002091) is 1-chloropentane;N-methylmethanamine.
What is the SMILES notation for 1-chloropentane;N-methylmethanamine?
The canonical SMILES for 1-chloropentane;N-methylmethanamine is CCCCCCl.CNC.
What is the InChIKey of 1-chloropentane;N-methylmethanamine?
The InChIKey is JTPDXUJDXILJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.C2H7N/c1-2-3-4-5-6;1-3-2/h2-5H2,1H3;3H,1-2H3.
What are the key properties of 1-chloropentane;N-methylmethanamine?
1-chloropentane;N-methylmethanamine has a molecular weight of 151.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;N-methylmethanamine is sourced from PubChem (CID 18002091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).