N-(2-chloroethyl)-N,4-dimethylpentan-1-amine

C9H20ClN — CID 83168960

IUPACN-(2-chloroethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCCl
InChIInChI=1S/C9H20ClN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyZGJGGTDZYRYGLA-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.59
Rot. Bonds6

About N-(2-chloroethyl)-N,4-dimethylpentan-1-amine

N-(2-chloroethyl)-N,4-dimethylpentan-1-amine (PubChem CID 83168960) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,4-dimethylpentan-1-amine
PubChem CID83168960
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-(2-chloroethyl)-N,4-dimethylpentan-1-amine
SMILESCC(C)CCCN(C)CCCl
InChIInChI=1S/C9H20ClN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3
InChIKeyZGJGGTDZYRYGLA-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
1-N-methyl-1-N-(4-methylpentyl)butane-1,3-diamine
CID 90943925
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydron;chloride
CID 53350389
N-(2-chloroethyl)-N-(4-methylpentyl)formamide
CID 178028720
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
N-iodo-N,4-dimethylpentan-1-amine
CID 147099385
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N,4-dimethylpentan-1-amine (CID 83168960) is N-(2-chloroethyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N,4-dimethylpentan-1-amine is CC(C)CCCN(C)CCCl.
What is the InChIKey of N-(2-chloroethyl)-N,4-dimethylpentan-1-amine?
The InChIKey is ZGJGGTDZYRYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN/c1-9(2)5-4-7-11(3)8-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,4-dimethylpentan-1-amine?
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine has a molecular weight of 177.72 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 83168960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).