N-(2-chloroethyl)-N-ethylpropan-2-amine

C7H16ClN — CID 13327740

IUPACN-(2-chloroethyl)-N-ethylpropan-2-amine
SMILESCCN(CCCl)C(C)C
InChIInChI=1S/C7H16ClN/c1-4-9(6-5-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyNYEWPJJQNGVOCU-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.96
Rot. Bonds4

About N-(2-chloroethyl)-N-ethylpropan-2-amine

N-(2-chloroethyl)-N-ethylpropan-2-amine (PubChem CID 13327740) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethylpropan-2-amine
PubChem CID13327740
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC NameN-(2-chloroethyl)-N-ethylpropan-2-amine
SMILESCCN(CCCl)C(C)C
InChIInChI=1S/C7H16ClN/c1-4-9(6-5-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyNYEWPJJQNGVOCU-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.96
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

5-chloro-1-N-(2-chloroethyl)-4-N,4-N-diethyl-1-N-propan-2-ylpentane-1,4-diamine
CID 57237258
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
N-(2-chloroethyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 112591752
(E)-N-(2-chloroethyl)-N-propan-2-ylbut-2-en-1-amine
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N-(2-chloroethyl)-N-prop-2-enylpropan-2-amine;hydrochloride
CID 57349420
1-N-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
N'-ethyl-N,N-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 59289592
1-chloro-N,N-bis(2-chloroethyl)propan-1-amine;hydrochloride
CID 3031200
N-ethyl-4-[ethyl(methyl)indiganyl]-N-propan-2-ylbutan-1-amine
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N,N-bis(2-chloroethyl)-1-methoxyethanamine
CID 87908945
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethylpropan-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethylpropan-2-amine (CID 13327740) is N-(2-chloroethyl)-N-ethylpropan-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethylpropan-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethylpropan-2-amine is CCN(CCCl)C(C)C.
What is the InChIKey of N-(2-chloroethyl)-N-ethylpropan-2-amine?
The InChIKey is NYEWPJJQNGVOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-4-9(6-5-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-ethylpropan-2-amine?
N-(2-chloroethyl)-N-ethylpropan-2-amine has a molecular weight of 149.66 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 13327740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).