tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate

C17H34N2O2 — CID 107250880

IUPACtert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCC(C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-15(12-19-16(20)21-17(3,4)5)18-11-14-9-7-13(2)8-10-14/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOMUHECQLIYWOEQ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds6

About tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate

tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate (PubChem CID 107250880) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
PubChem CID107250880
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCC(C)CC1
InChIInChI=1S/C17H34N2O2/c1-6-15(12-19-16(20)21-17(3,4)5)18-11-14-9-7-13(2)8-10-14/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyOMUHECQLIYWOEQ-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-(1-cyclopropylpropan-2-ylamino)pentyl]carbamate
CID 107253597
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
CID 107251219
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate (CID 107250880) is tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCC1CCC(C)CC1.
What is the InChIKey of tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate?
The InChIKey is OMUHECQLIYWOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-6-15(12-19-16(20)21-17(3,4)5)18-11-14-9-7-13(2)8-10-14/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate?
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate is sourced from PubChem (CID 107250880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).