tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate

C19H27N3O2 — CID 113242252

IUPACtert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1ccc(C#N)cc1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-13-16-5-4-6-17(16)21-12-15-9-7-14(11-20)8-10-15/h7-10,16-17,21H,4-6,12-13H2,1-3H3,(H,22,23)
InChIKeyCOSHICFVYVQITD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 113242252) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID113242252
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1ccc(C#N)cc1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-13-16-5-4-6-17(16)21-12-15-9-7-14(11-20)8-10-15/h7-10,16-17,21H,4-6,12-13H2,1-3H3,(H,22,23)
InChIKeyCOSHICFVYVQITD-UHFFFAOYSA-N
XLogP3.34
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
CID 113242210
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-[(3-bromothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103750525
tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-[[2-(thiadiazol-4-ylmethylamino)cyclopentyl]methyl]carbamate
CID 103923340
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate (CID 113242252) is tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCc1ccc(C#N)cc1.
What is the InChIKey of tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is COSHICFVYVQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)22-13-16-5-4-6-17(16)21-12-15-9-7-14(11-20)8-10-15/h7-10,16-17,21H,4-6,12-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 113242252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).