N,4-dichloro-N-methylpentan-1-amine

C6H13Cl2N — CID 130737318

IUPACN,4-dichloro-N-methylpentan-1-amine
SMILESCC(Cl)CCCN(C)Cl
InChIInChI=1S/C6H13Cl2N/c1-6(7)4-3-5-9(2)8/h6H,3-5H2,1-2H3
InChIKeyKGOBMQIGCGNRNF-UHFFFAOYSA-N
MW170.08 g/mol
LogP2.48
Rot. Bonds4

About N,4-dichloro-N-methylpentan-1-amine

N,4-dichloro-N-methylpentan-1-amine (PubChem CID 130737318) has the molecular formula C6H13Cl2N and a molecular weight of 170.08 g/mol. Its IUPAC name is N,4-dichloro-N-methylpentan-1-amine.

Molecular Properties

Compound NameN,4-dichloro-N-methylpentan-1-amine
PubChem CID130737318
Molecular FormulaC6H13Cl2N
Molecular Weight170.08 g/mol
Exact Mass169.04
IUPAC NameN,4-dichloro-N-methylpentan-1-amine
SMILESCC(Cl)CCCN(C)Cl
InChIInChI=1S/C6H13Cl2N/c1-6(7)4-3-5-9(2)8/h6H,3-5H2,1-2H3
InChIKeyKGOBMQIGCGNRNF-UHFFFAOYSA-N
XLogP2.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dichloro-N-methylpentan-1-amine?
The IUPAC name of N,4-dichloro-N-methylpentan-1-amine (CID 130737318) is N,4-dichloro-N-methylpentan-1-amine.
What is the SMILES notation for N,4-dichloro-N-methylpentan-1-amine?
The canonical SMILES for N,4-dichloro-N-methylpentan-1-amine is CC(Cl)CCCN(C)Cl.
What is the InChIKey of N,4-dichloro-N-methylpentan-1-amine?
The InChIKey is KGOBMQIGCGNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2N/c1-6(7)4-3-5-9(2)8/h6H,3-5H2,1-2H3.
What are the key properties of N,4-dichloro-N-methylpentan-1-amine?
N,4-dichloro-N-methylpentan-1-amine has a molecular weight of 170.08 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dichloro-N-methylpentan-1-amine is sourced from PubChem (CID 130737318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).