tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate

C17H27N3O2 — CID 107239561

IUPACtert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-7-4-12(5-8-14)11-19-15-9-6-13(18)10-15/h4-5,7-8,13,15,19H,6,9-11,18H2,1-3H3,(H,20,21)
InChIKeyRIRRQAUOYAUANN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.00
Rot. Bonds4

About tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate

tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate (PubChem CID 107239561) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
PubChem CID107239561
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCC(N)C2)cc1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-7-4-12(5-8-14)11-19-15-9-6-13(18)10-15/h4-5,7-8,13,15,19H,6,9-11,18H2,1-3H3,(H,20,21)
InChIKeyRIRRQAUOYAUANN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107239571
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tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
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tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
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N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
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tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
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tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
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N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate (CID 107239561) is tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNC2CCC(N)C2)cc1.
What is the InChIKey of tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate?
The InChIKey is RIRRQAUOYAUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-14-7-4-12(5-8-14)11-19-15-9-6-13(18)10-15/h4-5,7-8,13,15,19H,6,9-11,18H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate?
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.00, 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-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate is sourced from PubChem (CID 107239561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).