2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine

C8H16ClN — CID 130601571

IUPAC2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCCl)CCC1
InChIInChI=1S/C8H16ClN/c1-8(3-2-4-8)7-10-6-5-9/h10H,2-7H2,1H3
InChIKeyMNTIYGVRBQWKAQ-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine

2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine (PubChem CID 130601571) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
PubChem CID130601571
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
SMILESCC1(CNCCCl)CCC1
InChIInChI=1S/C8H16ClN/c1-8(3-2-4-8)7-10-6-5-9/h10H,2-7H2,1H3
InChIKeyMNTIYGVRBQWKAQ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
CID 63821289
N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 66025109
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63820774
1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
2-cyclohexyl-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103529144
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
1,1-dimethyl-2-[(1-methylcyclobutyl)methyl]hydrazine
CID 126985336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine (CID 130601571) is 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine is CC1(CNCCCl)CCC1.
What is the InChIKey of 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine?
The InChIKey is MNTIYGVRBQWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-8(3-2-4-8)7-10-6-5-9/h10H,2-7H2,1H3.
What are the key properties of 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine?
2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 130601571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).