tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride

C10H21ClN2O2 — CID 126812095

IUPACtert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(CN)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3,(H,12,13);1H
InChIKeyVUVVWKLDUAUSEO-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride

tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride (PubChem CID 126812095) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
PubChem CID126812095
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(CN)C1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3,(H,12,13);1H
InChIKeyVUVVWKLDUAUSEO-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride 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

tert-butyl N-[(1R,3R)-3-(aminomethyl)cyclohexyl]carbamate
CID 71685847
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R,2R,4S)-4-(aminomethyl)-2-hydroxycyclopentyl]carbamate
CID 139026814
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethyl acetate
CID 175325980
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride (CID 126812095) is tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CC(CN)C1.Cl.
What is the InChIKey of tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride?
The InChIKey is VUVVWKLDUAUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11;/h7-8H,4-6,11H2,1-3H3,(H,12,13);1H.
What are the key properties of tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride?
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride is sourced from PubChem (CID 126812095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).