tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate

C17H27N3O2 — CID 107240491

IUPACtert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCC2CN)cc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(15)11-18/h7-10,12,15,19H,4-6,11,18H2,1-3H3,(H,20,21)
InChIKeyVIVHLRAFVFGTIJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate

tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate (PubChem CID 107240491) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
PubChem CID107240491
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC2CCCC2CN)cc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(15)11-18/h7-10,12,15,19H,4-6,11,18H2,1-3H3,(H,20,21)
InChIKeyVIVHLRAFVFGTIJ-UHFFFAOYSA-N
XLogP3.57
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-[(2-methylthiolan-3-yl)amino]phenyl]carbamate
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tert-butyl N-[[2-(3-fluoro-4-hydroxyanilino)cyclopentyl]methyl]carbamate
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tert-butyl N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]carbamate
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tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
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tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
tert-butyl N-[[2-(2,5-difluoroanilino)cyclopentyl]methyl]carbamate
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N-[4-[(2-ethylcyclopentyl)amino]phenyl]-2-methylpropanamide
CID 115917194
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate (CID 107240491) is tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC2CCCC2CN)cc1.
What is the InChIKey of tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate?
The InChIKey is VIVHLRAFVFGTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(15)11-18/h7-10,12,15,19H,4-6,11,18H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate?
tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-(aminomethyl)cyclopentyl]amino]phenyl]carbamate is sourced from PubChem (CID 107240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).