N-(5-chloropentyl)-N,4-dimethylpentan-1-amine

C12H26ClN — CID 107204984

IUPACN-(5-chloropentyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCCCCCl
InChIInChI=1S/C12H26ClN/c1-12(2)8-7-11-14(3)10-6-4-5-9-13/h12H,4-11H2,1-3H3
InChIKeyQQZMZRDQXMSZPG-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.76
Rot. Bonds9

About N-(5-chloropentyl)-N,4-dimethylpentan-1-amine

N-(5-chloropentyl)-N,4-dimethylpentan-1-amine (PubChem CID 107204984) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(5-chloropentyl)-N,4-dimethylpentan-1-amine
PubChem CID107204984
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC NameN-(5-chloropentyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCCCCCl
InChIInChI=1S/C12H26ClN/c1-12(2)8-7-11-14(3)10-6-4-5-9-13/h12H,4-11H2,1-3H3
InChIKeyQQZMZRDQXMSZPG-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.76
H-Bond Donors ≤ 50
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 N-(5-chloropentyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(5-chloropentyl)-N,4-dimethylpentan-1-amine (CID 107204984) is N-(5-chloropentyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(5-chloropentyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(5-chloropentyl)-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)CCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-N,4-dimethylpentan-1-amine?
The InChIKey is QQZMZRDQXMSZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-12(2)8-7-11-14(3)10-6-4-5-9-13/h12H,4-11H2,1-3H3.
What are the key properties of N-(5-chloropentyl)-N,4-dimethylpentan-1-amine?
N-(5-chloropentyl)-N,4-dimethylpentan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 107204984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).