(2R)-4-chloro-N,N,2-trimethylpentan-1-amine

C8H18ClN — CID 163765576

IUPAC(2R)-4-chloro-N,N,2-trimethylpentan-1-amine
SMILESCC(Cl)C[C@@H](C)CN(C)C
InChIInChI=1S/C8H18ClN/c1-7(5-8(2)9)6-10(3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyMBZDUEABPLRZBQ-GVHYBUMESA-N
MW163.69 g/mol
LogP2.20
Rot. Bonds4

About (2R)-4-chloro-N,N,2-trimethylpentan-1-amine

(2R)-4-chloro-N,N,2-trimethylpentan-1-amine (PubChem CID 163765576) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is (2R)-4-chloro-N,N,2-trimethylpentan-1-amine.

Molecular Properties

Compound Name(2R)-4-chloro-N,N,2-trimethylpentan-1-amine
PubChem CID163765576
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name(2R)-4-chloro-N,N,2-trimethylpentan-1-amine
SMILESCC(Cl)C[C@@H](C)CN(C)C
InChIInChI=1S/C8H18ClN/c1-7(5-8(2)9)6-10(3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m1/s1
InChIKeyMBZDUEABPLRZBQ-GVHYBUMESA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

Analyze (2R)-4-chloro-N,N,2-trimethylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-chloro-1-fluoro-N,N,4-trimethylpentan-1-amine
CID 134364501
5-Chloropentyl(trimethyl)azanium chloride
CID 13508505
(3S,5R)-1-butyl-3-chloro-5-methylpiperidine
CID 101182717
3-chloro-N,N-diethyl-2-methylbutan-1-amine
CID 12524441
5-chloro-N,N-diethylpentan-1-amine
CID 12618383
6-Chloro-N,N-dimethylhexan-1-amine
CID 12947031
5-Chloropentyl(trimethyl)azanium
CID 13508506
6-Chlorohexyl(trimethyl)azanium
CID 13508508
5-Chloro-N,N-dimethyl-1-pentanamine
CID 13508529
N-(3-chloropropyl)-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 14457389
3-(Chloromethyl)-1-ethylpiperidine
CID 15015385
N,N-dibutyl-5-chloropentan-1-amine
CID 15163103

Frequently Asked Questions

What is the IUPAC name of (2R)-4-chloro-N,N,2-trimethylpentan-1-amine?
The IUPAC name of (2R)-4-chloro-N,N,2-trimethylpentan-1-amine (CID 163765576) is (2R)-4-chloro-N,N,2-trimethylpentan-1-amine.
What is the SMILES notation for (2R)-4-chloro-N,N,2-trimethylpentan-1-amine?
The canonical SMILES for (2R)-4-chloro-N,N,2-trimethylpentan-1-amine is CC(Cl)C[C@@H](C)CN(C)C.
What is the InChIKey of (2R)-4-chloro-N,N,2-trimethylpentan-1-amine?
The InChIKey is MBZDUEABPLRZBQ-GVHYBUMESA-N. The full InChI is InChI=1S/C8H18ClN/c1-7(5-8(2)9)6-10(3)4/h7-8H,5-6H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (2R)-4-chloro-N,N,2-trimethylpentan-1-amine?
(2R)-4-chloro-N,N,2-trimethylpentan-1-amine has a molecular weight of 163.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-chloro-N,N,2-trimethylpentan-1-amine is sourced from PubChem (CID 163765576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).