tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate

C15H30N2O3 — CID 154784625

IUPACtert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
SMILESC[C@H](CO)NC1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-11(10-18)16-12-6-8-15(5,9-7-12)17-13(19)20-14(2,3)4/h11-12,16,18H,6-10H2,1-5H3,(H,17,19)/t11-,12?,15?/m1/s1
InChIKeyRYQJANRKAGGFQR-XIKARTHZSA-N
MW286.42 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate

tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate (PubChem CID 154784625) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
PubChem CID154784625
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
SMILESC[C@H](CO)NC1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-11(10-18)16-12-6-8-15(5,9-7-12)17-13(19)20-14(2,3)4/h11-12,16,18H,6-10H2,1-5H3,(H,17,19)/t11-,12?,15?/m1/s1
InChIKeyRYQJANRKAGGFQR-XIKARTHZSA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[3-(1-hydroxypropan-2-ylamino)-1-phenylcyclobutyl]carbamate
CID 167890298
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
tert-butyl N-[4-(1-methylsulfanylpropan-2-ylamino)cyclohexyl]carbamate
CID 115972049
2-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817249
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 103788987
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate (CID 154784625) is tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate is C[C@H](CO)NC1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate?
The InChIKey is RYQJANRKAGGFQR-XIKARTHZSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(10-18)16-12-6-8-15(5,9-7-12)17-13(19)20-14(2,3)4/h11-12,16,18H,6-10H2,1-5H3,(H,17,19)/t11-,12?,15?/m1/s1.
What are the key properties of tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate?
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.18, 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-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate is sourced from PubChem (CID 154784625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).