3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine

C8H17ClN2 — CID 121358937

IUPAC3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(CN)(CCl)C1
InChIInChI=1S/C8H17ClN2/c1-2-11-7-3-8(4-7,5-9)6-10/h7,11H,2-6,10H2,1H3
InChIKeyZQDBQDNCUQVZQT-UHFFFAOYSA-N
MW176.69 g/mol
LogP0.94
Rot. Bonds4

About 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine

3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine (PubChem CID 121358937) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
PubChem CID121358937
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(CN)(CCl)C1
InChIInChI=1S/C8H17ClN2/c1-2-11-7-3-8(4-7,5-9)6-10/h7,11H,2-6,10H2,1H3
InChIKeyZQDBQDNCUQVZQT-UHFFFAOYSA-N
XLogP0.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-2,2-difluorospiro[3.3]heptan-6-amine
CID 166487835
ethyl 4-(ethylamino)-2,2,6,6-tetramethylpiperidine-1-carboxylate
CID 19090267
7-(aminomethyl)-N-ethyl-7-azaspiro[3.5]nonan-2-amine
CID 155582704
1-benzyl-N-ethyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 20501093
3-N-ethyl-1,5,5-trimethylcyclohexane-1,3-diamine
CID 67708166
N-ethyl-3-methoxy-3-methylcyclobutan-1-amine
CID 163461542
N'-[2-[3-(ethylamino)-1-methylcyclobutyl]ethyl]-N'-methylmethanediamine
CID 167520950
N-ethyl-2,2-difluorospiro[2.3]hexan-5-amine;molecular hydrogen
CID 171510554
N-ethylcyclopropanamine;hydrochloride
CID 43810659
[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
N-ethylcyclodecanamine
CID 148546213

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine (CID 121358937) is 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine is CCNC1CC(CN)(CCl)C1.
What is the InChIKey of 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine?
The InChIKey is ZQDBQDNCUQVZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-2-11-7-3-8(4-7,5-9)6-10/h7,11H,2-6,10H2,1H3.
What are the key properties of 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine?
3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine has a molecular weight of 176.69 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(chloromethyl)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 121358937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).