tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate

C16H32N2O2 — CID 107250927

IUPACtert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-5-14(12-18-15(19)20-16(2,3)4)17-11-13-9-7-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyHTPIMQJNFPSADS-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.46
Rot. Bonds6

About tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate

tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate (PubChem CID 107250927) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
PubChem CID107250927
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NCC1CCCCC1
InChIInChI=1S/C16H32N2O2/c1-5-14(12-18-15(19)20-16(2,3)4)17-11-13-9-7-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19)
InChIKeyHTPIMQJNFPSADS-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(pyrrolidin-2-ylmethylamino)butyl]carbamate
CID 107250997
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
CID 107254308
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-[4-methyl-2-[(1-methylpiperidin-3-yl)methylamino]pentyl]carbamate
CID 107252275
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate (CID 107250927) is tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NCC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate?
The InChIKey is HTPIMQJNFPSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-14(12-18-15(19)20-16(2,3)4)17-11-13-9-7-6-8-10-13/h13-14,17H,5-12H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate?
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.46, 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-(cyclohexylmethylamino)butyl]carbamate is sourced from PubChem (CID 107250927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).