(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate

C14H27NO2 — CID 164901187

IUPAC(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
SMILES[2H]CC(C)(C)OC(=O)NCCCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,15,16)/i1D
InChIKeyPJMCXDZWTLZOII-MICDWDOJSA-N
MW242.38 g/mol
LogP3.87
Rot. Bonds4

About (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate

(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate (PubChem CID 164901187) has the molecular formula C14H27NO2 and a molecular weight of 242.38 g/mol. Its IUPAC name is (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate.

Molecular Properties

Compound Name(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
PubChem CID164901187
Molecular FormulaC14H27NO2
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Name(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
SMILES[2H]CC(C)(C)OC(=O)NCCCC1CCCCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,15,16)/i1D
InChIKeyPJMCXDZWTLZOII-MICDWDOJSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
CID 119031291
tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
CID 83982209
3-cyclohexylpropylcarbamic acid
CID 54479876
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
N-cyclohexylcyclohexanamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131863507
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[3-(2-ethenoxycyclohexyl)propyl]carbamate
CID 76712693
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
CID 123999633
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-(cyclohexylmethylamino)carbamate;ethane
CID 143072952

Frequently Asked Questions

What is the IUPAC name of (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate?
The IUPAC name of (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate (CID 164901187) is (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate.
What is the SMILES notation for (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate?
The canonical SMILES for (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate is [2H]CC(C)(C)OC(=O)NCCCC1CCCCC1.
What is the InChIKey of (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate?
The InChIKey is PJMCXDZWTLZOII-MICDWDOJSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)17-13(16)15-11-7-10-12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,15,16)/i1D.
What are the key properties of (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate?
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate has a molecular weight of 242.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate is sourced from PubChem (CID 164901187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).