tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate

C17H34N2O2 — CID 107252262

IUPACtert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-13(2)11-15(19-14-9-7-6-8-10-14)12-18-16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXJMGDHBFFRAARW-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.85
Rot. Bonds6

About tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate

tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate (PubChem CID 107252262) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
PubChem CID107252262
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCCC1
InChIInChI=1S/C17H34N2O2/c1-13(2)11-15(19-14-9-7-6-8-10-14)12-18-16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3,(H,18,20)
InChIKeyXJMGDHBFFRAARW-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-[(1,1-dioxothian-4-yl)amino]-4-methylpentyl]carbamate
CID 107252296
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate (CID 107252262) is tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate?
The InChIKey is XJMGDHBFFRAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)11-15(19-14-9-7-6-8-10-14)12-18-16(20)21-17(3,4)5/h13-15,19H,6-12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate?
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.85, 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-(cyclohexylamino)-4-methylpentyl]carbamate is sourced from PubChem (CID 107252262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).