tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate

C16H32N2O2 — CID 107250925

IUPACtert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C
InChIInChI=1S/C16H32N2O2/c1-6-13(11-17-15(19)20-16(3,4)5)18-14-10-8-7-9-12(14)2/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyQBLFFOGRSQYNDF-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds5

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

tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate (PubChem CID 107250925) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
PubChem CID107250925
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C
InChIInChI=1S/C16H32N2O2/c1-6-13(11-17-15(19)20-16(3,4)5)18-14-10-8-7-9-12(14)2/h12-14,18H,6-11H2,1-5H3,(H,17,19)
InChIKeyQBLFFOGRSQYNDF-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]butyl]carbamate
CID 107251219
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
CID 103949542
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 107251060
tert-butyl N-[5-methoxy-4-[(2-methylcyclohexyl)amino]pentyl]carbamate
CID 103387264
tert-butyl N-[2-[(2-propan-2-ylcyclohexyl)amino]pentyl]carbamate
CID 107253828
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-[(2-ethylcyclopentyl)amino]pentyl]carbamate
CID 107253520
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355
tert-butyl N-[[2-(1-methylsulfanylbutan-2-ylamino)cyclohexyl]methyl]carbamate
CID 104867074
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate (CID 107250925) is tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1CCCCC1C.
What is the InChIKey of tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate?
The InChIKey is QBLFFOGRSQYNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-13(11-17-15(19)20-16(3,4)5)18-14-10-8-7-9-12(14)2/h12-14,18H,6-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate?
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate is sourced from PubChem (CID 107250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).