N-(chloromethyl)-2-cyclobutyl-N-methylethanamine

C8H16ClN — CID 115263599

IUPACN-(chloromethyl)-2-cyclobutyl-N-methylethanamine
SMILESCN(CCl)CCC1CCC1
InChIInChI=1S/C8H16ClN/c1-10(7-9)6-5-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyDJJAMOOMULQTSN-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.30
Rot. Bonds4

About N-(chloromethyl)-2-cyclobutyl-N-methylethanamine

N-(chloromethyl)-2-cyclobutyl-N-methylethanamine (PubChem CID 115263599) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is N-(chloromethyl)-2-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound NameN-(chloromethyl)-2-cyclobutyl-N-methylethanamine
PubChem CID115263599
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC NameN-(chloromethyl)-2-cyclobutyl-N-methylethanamine
SMILESCN(CCl)CCC1CCC1
InChIInChI=1S/C8H16ClN/c1-10(7-9)6-5-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyDJJAMOOMULQTSN-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271
N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115215246
1-N-(2-cyclobutylethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200914
3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
N-(2-cyclopentylethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115258134
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
N,N'-bis(chloromethyl)-N,N'-dimethylethane-1,2-diamine
CID 88914323
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
1-[2-cyclohexylethyl(methyl)amino]-2-methylpropan-2-ol
CID 111113332
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-2-cyclobutyl-N-methylethanamine?
The IUPAC name of N-(chloromethyl)-2-cyclobutyl-N-methylethanamine (CID 115263599) is N-(chloromethyl)-2-cyclobutyl-N-methylethanamine.
What is the SMILES notation for N-(chloromethyl)-2-cyclobutyl-N-methylethanamine?
The canonical SMILES for N-(chloromethyl)-2-cyclobutyl-N-methylethanamine is CN(CCl)CCC1CCC1.
What is the InChIKey of N-(chloromethyl)-2-cyclobutyl-N-methylethanamine?
The InChIKey is DJJAMOOMULQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-10(7-9)6-5-8-3-2-4-8/h8H,2-7H2,1H3.
What are the key properties of N-(chloromethyl)-2-cyclobutyl-N-methylethanamine?
N-(chloromethyl)-2-cyclobutyl-N-methylethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-2-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 115263599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).