tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate

C19H38N2O2 — CID 107428869

IUPACtert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-7-16(13-20-18(22)23-19(4,5)6)21-17-10-8-9-15(12-17)11-14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22)
InChIKeySNRUGICRVOYPJO-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.48
Rot. Bonds7

About tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate

tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate (PubChem CID 107428869) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
PubChem CID107428869
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C19H38N2O2/c1-7-16(13-20-18(22)23-19(4,5)6)21-17-10-8-9-15(12-17)11-14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22)
InChIKeySNRUGICRVOYPJO-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107428855
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate (CID 107428869) is tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1CCCC(CC(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate?
The InChIKey is SNRUGICRVOYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-16(13-20-18(22)23-19(4,5)6)21-17-10-8-9-15(12-17)11-14(2)3/h14-17,21H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate?
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate is sourced from PubChem (CID 107428869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).