3-chloro-N-ethylpentan-2-amine

C7H16ClN — CID 131140480

IUPAC3-chloro-N-ethylpentan-2-amine
SMILESCCNC(C)C(Cl)CC
InChIInChI=1S/C7H16ClN/c1-4-7(8)6(3)9-5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyFYMGOPYYVGSPCR-UHFFFAOYSA-N
MW149.66 g/mol
LogP2.00
Rot. Bonds4

About 3-chloro-N-ethylpentan-2-amine

3-chloro-N-ethylpentan-2-amine (PubChem CID 131140480) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 3-chloro-N-ethylpentan-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethylpentan-2-amine
PubChem CID131140480
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name3-chloro-N-ethylpentan-2-amine
SMILESCCNC(C)C(Cl)CC
InChIInChI=1S/C7H16ClN/c1-4-7(8)6(3)9-5-2/h6-7,9H,4-5H2,1-3H3
InChIKeyFYMGOPYYVGSPCR-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dichloropentane
CID 6431009
N,3-diethyl-5-methylhexan-2-amine
CID 54129064
1,1,2-trichlorobutane
CID 19865249
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine
CID 167265336
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
1-cyclopentyl-N-ethylethanamine
CID 60819244
2,3-dichloro-N-ethyl-1-silylpropan-1-amine
CID 173059356
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
4-chloro-3-methylhexan-2-ol
CID 18920939

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethylpentan-2-amine?
The IUPAC name of 3-chloro-N-ethylpentan-2-amine (CID 131140480) is 3-chloro-N-ethylpentan-2-amine.
What is the SMILES notation for 3-chloro-N-ethylpentan-2-amine?
The canonical SMILES for 3-chloro-N-ethylpentan-2-amine is CCNC(C)C(Cl)CC.
What is the InChIKey of 3-chloro-N-ethylpentan-2-amine?
The InChIKey is FYMGOPYYVGSPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN/c1-4-7(8)6(3)9-5-2/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N-ethylpentan-2-amine?
3-chloro-N-ethylpentan-2-amine has a molecular weight of 149.66 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethylpentan-2-amine is sourced from PubChem (CID 131140480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).