tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate

C18H36N2O2 — CID 107252163

IUPACtert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1
InChIInChI=1S/C18H36N2O2/c1-13(2)10-16(12-19-17(21)22-18(4,5)6)20-15-9-7-8-14(3)11-15/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyNDWYEOXQMHBGCN-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate

tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate (PubChem CID 107252163) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
PubChem CID107252163
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
SMILESCC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1
InChIInChI=1S/C18H36N2O2/c1-13(2)10-16(12-19-17(21)22-18(4,5)6)20-15-9-7-8-14(3)11-15/h13-16,20H,7-12H2,1-6H3,(H,19,21)
InChIKeyNDWYEOXQMHBGCN-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[4-methyl-2-(oxan-3-ylamino)pentyl]carbamate
CID 103782948
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-[(1,1-dioxothian-4-yl)amino]-4-methylpentyl]carbamate
CID 107252296
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate (CID 107252163) is tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate is CC(C)CC(CNC(=O)OC(C)(C)C)NC1CCCC(C)C1.
What is the InChIKey of tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate?
The InChIKey is NDWYEOXQMHBGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)10-16(12-19-17(21)22-18(4,5)6)20-15-9-7-8-14(3)11-15/h13-16,20H,7-12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate?
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate is sourced from PubChem (CID 107252163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).