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

C16H32N2O2 — CID 103699070

IUPACtert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCC(NCCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-13-7-9-14(10-8-13)17-11-6-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyYEWWLTBQLICXFR-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.41
Rot. Bonds5

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

tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate (PubChem CID 103699070) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
PubChem CID103699070
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate
SMILESCC1CCC(NCCCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-13-7-9-14(10-8-13)17-11-6-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3
InChIKeyYEWWLTBQLICXFR-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
tert-butyl N-[3-(azetidin-3-ylamino)propyl]-N-methylcarbamate
CID 107242227
tert-butyl N-methyl-N-[3-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107242237
tert-butyl N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781266
tert-butyl N-[3-[(3-methoxycyclohexyl)amino]propyl]-N-methylcarbamate
CID 107242031
tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781210
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401
tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-methyl-N-[2-[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]ethyl]carbamate
CID 111256095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate (CID 103699070) is tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate is CC1CCC(NCCCN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate?
The InChIKey is YEWWLTBQLICXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13-7-9-14(10-8-13)17-11-6-12-18(5)15(19)20-16(2,3)4/h13-14,17H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate?
tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-[(4-methylcyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 103699070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).