tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate

C17H26N2O2 — CID 117113193

IUPACtert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate
SMILESCc1ccc(C2(CN)CCC2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-13(17(11-18)8-5-9-17)10-14(12)19-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyKMSXBWMOPQSDMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate

tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate (PubChem CID 117113193) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate
PubChem CID117113193
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate
SMILESCc1ccc(C2(CN)CCC2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-12-6-7-13(17(11-18)8-5-9-17)10-14(12)19-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyKMSXBWMOPQSDMD-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
tert-butyl N-[5-[1-(aminomethyl)cyclohexyl]-2-bromophenyl]carbamate
CID 117113452
tert-butyl N-[5-(1-aminocyclopentyl)-2-methylphenyl]carbamate
CID 117112807
tert-butyl N-[4-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]carbamate
CID 117472268
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(5-amino-2-methylphenyl)carbamate
CID 10799065
2-[1-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropyl]acetic acid
CID 117492320
tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
CID 117472222
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate (CID 117113193) is tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate is Cc1ccc(C2(CN)CCC2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate?
The InChIKey is KMSXBWMOPQSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-7-13(17(11-18)8-5-9-17)10-14(12)19-15(20)21-16(2,3)4/h6-7,10H,5,8-9,11,18H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate?
tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[1-(aminomethyl)cyclobutyl]-2-methylphenyl]carbamate is sourced from PubChem (CID 117113193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).