2-chloro-N,N-diethyl-4-methylpentan-1-amine

C10H22ClN — CID 150778945

IUPAC2-chloro-N,N-diethyl-4-methylpentan-1-amine
SMILESCCN(CC)CC(Cl)CC(C)C
InChIInChI=1S/C10H22ClN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyKBLPACMXCCVYJO-UHFFFAOYSA-N
MW191.75 g/mol
LogP2.98
Rot. Bonds6

About 2-chloro-N,N-diethyl-4-methylpentan-1-amine

2-chloro-N,N-diethyl-4-methylpentan-1-amine (PubChem CID 150778945) has the molecular formula C10H22ClN and a molecular weight of 191.75 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-methylpentan-1-amine
PubChem CID150778945
Molecular FormulaC10H22ClN
Molecular Weight191.75 g/mol
Exact Mass191.14
IUPAC Name2-chloro-N,N-diethyl-4-methylpentan-1-amine
SMILESCCN(CC)CC(Cl)CC(C)C
InChIInChI=1S/C10H22ClN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3
InChIKeyKBLPACMXCCVYJO-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

1-Butyl-5-chloro-3,3-dimethylpiperidine
CID 11469764
1-(2-Chloroethyl)-3-methylpiperidine
CID 112026
4-(2-Chloroethyl)-1-methylpiperidine
CID 22568277
1-(2-Chloroethyl)-3-methylpiperidinium chloride
CID 44151839
(2R)-2-chloro-1-fluoro-N,N,4-trimethylpentan-1-amine
CID 134364501
(3S,4R)-1-butyl-3-chloro-4-methylpiperidine
CID 10867130
(3S,5R)-1-butyl-3-chloro-5-methylpiperidine
CID 101182717
(2S)-1-chloro-N,4-dimethyl-N-prop-2-ynylpentan-2-amine
CID 125477284
3-Chloro-N-(2-chloroethyl)-N-isopentylpropylamine hydrochloride
CID 24836021
N-[(3-chlorocyclobutyl)methyl]-3-fluoro-N-methylpropan-1-amine
CID 81113214
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpentan-1-amine
CID 107487836
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylpentan-1-amine
CID 107488084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-methylpentan-1-amine?
The IUPAC name of 2-chloro-N,N-diethyl-4-methylpentan-1-amine (CID 150778945) is 2-chloro-N,N-diethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-chloro-N,N-diethyl-4-methylpentan-1-amine is CCN(CC)CC(Cl)CC(C)C.
What is the InChIKey of 2-chloro-N,N-diethyl-4-methylpentan-1-amine?
The InChIKey is KBLPACMXCCVYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClN/c1-5-12(6-2)8-10(11)7-9(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-chloro-N,N-diethyl-4-methylpentan-1-amine?
2-chloro-N,N-diethyl-4-methylpentan-1-amine has a molecular weight of 191.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-methylpentan-1-amine is sourced from PubChem (CID 150778945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).