tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate

C19H36N2O2 — CID 107252592

IUPACtert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
SMILESCC(C)CC(C)(CNC(=O)OC(C)(C)C)NCC1CC=CCC1
InChIInChI=1S/C19H36N2O2/c1-15(2)12-19(6,14-20-17(22)23-18(3,4)5)21-13-16-10-8-7-9-11-16/h7-8,15-16,21H,9-14H2,1-6H3,(H,20,22)
InChIKeyCYKIMNDRRBNUFY-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.26
Rot. Bonds7

About tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate

tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate (PubChem CID 107252592) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
PubChem CID107252592
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nametert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
SMILESCC(C)CC(C)(CNC(=O)OC(C)(C)C)NCC1CC=CCC1
InChIInChI=1S/C19H36N2O2/c1-15(2)12-19(6,14-20-17(22)23-18(3,4)5)21-13-16-10-8-7-9-11-16/h7-8,15-16,21H,9-14H2,1-6H3,(H,20,22)
InChIKeyCYKIMNDRRBNUFY-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
CID 107252599
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
tert-butyl N-[7-(cyclohex-3-en-1-ylmethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255572
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
CID 103097056
tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
CID 129413596
tert-butyl N-[2-[(cyclohex-3-en-1-ylamino)methyl]-3-methylbutyl]carbamate
CID 107442378
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]-2,4-dimethylpentyl]carbamate
CID 107252602
3-(cyclohex-3-en-1-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 106185997
tert-butyl N-(4-cyclopent-3-en-1-yl-3-oxobutyl)carbamate
CID 165464358
1-(cyclohex-3-en-1-ylmethyl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71915662
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate (CID 107252592) is tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate is CC(C)CC(C)(CNC(=O)OC(C)(C)C)NCC1CC=CCC1.
What is the InChIKey of tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate?
The InChIKey is CYKIMNDRRBNUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(2)12-19(6,14-20-17(22)23-18(3,4)5)21-13-16-10-8-7-9-11-16/h7-8,15-16,21H,9-14H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate?
tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate has a molecular weight of 324.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate is sourced from PubChem (CID 107252592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).