tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate

C19H38N2O2 — CID 107445694

IUPACtert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
SMILESCC1(C)CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)21(16(22)23-18(4,5)6)14-13-20-15-9-11-19(7,8)12-10-15/h15,20H,9-14H2,1-8H3
InChIKeySZSLCQXVWVHDCG-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.58
Rot. Bonds4

About tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate (PubChem CID 107445694) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
PubChem CID107445694
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
SMILESCC1(C)CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)21(16(22)23-18(4,5)6)14-13-20-15-9-11-19(7,8)12-10-15/h15,20H,9-14H2,1-8H3
InChIKeySZSLCQXVWVHDCG-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]-N-methylcarbamate
CID 103698950
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 107444815
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
tert-butyl 3-[(4,4-dimethylcyclohexyl)amino]propanoate
CID 113243262
tert-butyl N-[3-[(4,4-dimethylcycloheptyl)amino]propyl]-N-ethylcarbamate
CID 107242640
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-tert-butyl-N-[2-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]carbamate
CID 106359667
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]carbamate
CID 107445874
tert-butyl N-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103698952
tert-butyl N-tert-butyl-N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]ethyl]carbamate
CID 107445831

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate (CID 107445694) is tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate is CC1(C)CCC(NCCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate?
The InChIKey is SZSLCQXVWVHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-17(2,3)21(16(22)23-18(4,5)6)14-13-20-15-9-11-19(7,8)12-10-15/h15,20H,9-14H2,1-8H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate is sourced from PubChem (CID 107445694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).