tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate

C16H32N2O2 — CID 107248380

IUPACtert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCC(C)C(NC(C)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-11-7-8-12(2)14(9-11)18-13(3)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyMYNVLDLTMHYWMV-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate

tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate (PubChem CID 107248380) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
PubChem CID107248380
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCC(C)C(NC(C)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-11-7-8-12(2)14(9-11)18-13(3)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19)
InChIKeyMYNVLDLTMHYWMV-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
CID 103390066
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
CID 103390031
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[(2S)-2-methoxy-4-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]amino]-4-oxobutyl]carbamate
CID 100664847
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
CID 153296016
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate (CID 107248380) is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate is CC1CCC(C)C(NC(C)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate?
The InChIKey is MYNVLDLTMHYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-11-7-8-12(2)14(9-11)18-13(3)10-17-15(19)20-16(4,5)6/h11-14,18H,7-10H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate?
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 107248380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).