N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine

C10H22ClN — CID 83169075

IUPACN-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCN(CCCl)CCCC(C)C
InChIInChI=1S/C10H22ClN/c1-4-12(9-7-11)8-5-6-10(2)3/h10H,4-9H2,1-3H3
InChIKeyNXQWJBBXHHZCPQ-UHFFFAOYSA-N
MW191.75 g/mol
LogP2.98
Rot. Bonds7

About N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine

N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 83169075) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID83169075
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC NameN-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCN(CCCl)CCCC(C)C
InChIInChI=1S/C10H22ClN/c1-4-12(9-7-11)8-5-6-10(2)3/h10H,4-9H2,1-3H3
InChIKeyNXQWJBBXHHZCPQ-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.75
LogP ≤ 52.98
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-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
CID 61289336
N-[2-[2-[bis(4-methylpentyl)amino]ethyl-ethylamino]ethyl]-N,N'-diethyl-N'-[2-[4-methylpentyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 142586860
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
N,N-diethyl-15-methylhexadecan-1-amine
CID 139723585
N,N-diethyl-16-methylheptadecan-1-amine
CID 22925563
N,N-diethyl-7-methyloctan-1-amine
CID 140640735
N-(4-chlorobutyl)-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 3062538
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine (CID 83169075) is N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine is CCN(CCCl)CCCC(C)C.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is NXQWJBBXHHZCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-4-12(9-7-11)8-5-6-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine?
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 191.75 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 83169075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).