N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine

C8H18ClN — CID 61289336

IUPACN-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CCCl)CC(C)C
InChIInChI=1S/C8H18ClN/c1-4-10(6-5-9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyLXXXMWQZDVPMRF-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.20
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine

N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 61289336) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID61289336
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCN(CCCl)CC(C)C
InChIInChI=1S/C8H18ClN/c1-4-10(6-5-9)7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyLXXXMWQZDVPMRF-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.20
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)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 61378109
N-(2-chloroethyl)-N-ethyl-4-methylpentan-1-amine
CID 83169075
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
N-butyl-N-(2-chloroethyl)-3-methylbutan-1-amine
CID 63389517
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine (CID 61289336) is N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine is CCN(CCCl)CC(C)C.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is LXXXMWQZDVPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClN/c1-4-10(6-5-9)7-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine?
N-(2-chloroethyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.20, 5 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-2-methylpropan-1-amine is sourced from PubChem (CID 61289336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).