3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine

C8H16ClN — CID 114631905

IUPAC3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Cl)C1(C)C
InChIInChI=1S/C8H16ClN/c1-4-10-7-5-6(9)8(7,2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyJKXUNIYEVYZOPG-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.00
Rot. Bonds2

About 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 114631905) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID114631905
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Cl)C1(C)C
InChIInChI=1S/C8H16ClN/c1-4-10-7-5-6(9)8(7,2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyJKXUNIYEVYZOPG-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
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

N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 107897801
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 106440079
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 114631990
N-[(4-tert-butylphenyl)methyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631954
trans-(1S,3S)-N-ethyl-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 155296863
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114632207
3-chloro-2,2-dimethyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 114631826
3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81418024
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
N-(1-benzothiophen-3-ylmethyl)-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631979
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 114631905) is 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Cl)C1(C)C.
What is the InChIKey of 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is JKXUNIYEVYZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-4-10-7-5-6(9)8(7,2)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 161.68 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 114631905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).