tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate

C17H34N2O2 — CID 107250315

IUPACtert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCCC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-7-13(19-15(20)21-16(2,3)4)12-18-14-9-8-10-17(5,6)11-14/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyTYQCISVDSVJMEY-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate

tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate (PubChem CID 107250315) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
PubChem CID107250315
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCCC(C)(C)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-7-13(19-15(20)21-16(2,3)4)12-18-14-9-8-10-17(5,6)11-14/h13-14,18H,7-12H2,1-6H3,(H,19,20)
InChIKeyTYQCISVDSVJMEY-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-cyclopropyl-2-[(3,3-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107244003
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate (CID 107250315) is tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate is CCC(CNC1CCCC(C)(C)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate?
The InChIKey is TYQCISVDSVJMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-13(19-15(20)21-16(2,3)4)12-18-14-9-8-10-17(5,6)11-14/h13-14,18H,7-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107250315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).