tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate

C17H32N2O3 — CID 103759654

IUPACtert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
SMILESCC1CCCC(O)(CNC2CC(NC(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O3/c1-12-6-5-7-17(21,10-12)11-18-13-8-14(9-13)19-15(20)22-16(2,3)4/h12-14,18,21H,5-11H2,1-4H3,(H,19,20)
InChIKeyVZBOJQQPRNPXGO-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.57
Rot. Bonds4

About tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate

tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate (PubChem CID 103759654) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
PubChem CID103759654
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate
SMILESCC1CCCC(O)(CNC2CC(NC(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N2O3/c1-12-6-5-7-17(21,10-12)11-18-13-8-14(9-13)19-15(20)22-16(2,3)4/h12-14,18,21H,5-11H2,1-4H3,(H,19,20)
InChIKeyVZBOJQQPRNPXGO-UHFFFAOYSA-N
XLogP2.57
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116922
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
tert-butyl N-[3-[(2-methyloxolan-2-yl)methylamino]cyclobutyl]carbamate
CID 80562464
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
tert-butyl N-[4-[(1-methylcyclohexyl)methylamino]cyclohexyl]carbamate
CID 103949089
tert-butyl N-[3-[(2-methylthiolan-2-yl)methylamino]cyclohexyl]carbamate
CID 103772236
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
tert-butyl N-[1-(bromomethyl)-3-methylcyclohexyl]carbamate
CID 114314705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate (CID 103759654) is tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate is CC1CCCC(O)(CNC2CC(NC(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate?
The InChIKey is VZBOJQQPRNPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12-6-5-7-17(21,10-12)11-18-13-8-14(9-13)19-15(20)22-16(2,3)4/h12-14,18,21H,5-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-hydroxy-3-methylcyclohexyl)methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103759654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).