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

C16H25N3O2 — CID 107239958

IUPACtert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCC(N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13-6-4-5-12(10-13)18-14-8-7-11(17)9-14/h4-6,10-11,14,18H,7-9,17H2,1-3H3,(H,19,20)
InChIKeyCQLIKOOPLBZXHJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.33
Rot. Bonds3

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

tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate (PubChem CID 107239958) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
PubChem CID107239958
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCC(N)C2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13-6-4-5-12(10-13)18-14-8-7-11(17)9-14/h4-6,10-11,14,18H,7-9,17H2,1-3H3,(H,19,20)
InChIKeyCQLIKOOPLBZXHJ-UHFFFAOYSA-N
XLogP3.33
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[(3-aminocyclohexyl)amino]phenyl]carbamate
CID 79459255
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-[5-[(3-aminocyclobutyl)amino]-2-methoxyphenyl]carbamate
CID 107239640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate (CID 107239958) is tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC2CCC(N)C2)c1.
What is the InChIKey of tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate?
The InChIKey is CQLIKOOPLBZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-13-6-4-5-12(10-13)18-14-8-7-11(17)9-14/h4-6,10-11,14,18H,7-9,17H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate has a molecular weight of 291.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate is sourced from PubChem (CID 107239958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).