tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate

C18H34N2O2 — CID 103578438

IUPACtert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
SMILESCC(C)C1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)13-10-16(11-13)19-14-6-8-15(9-7-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyJACTYFWNPPKTRG-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate (PubChem CID 103578438) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
PubChem CID103578438
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate
SMILESCC(C)C1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-12(2)13-10-16(11-13)19-14-6-8-15(9-7-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21)
InChIKeyJACTYFWNPPKTRG-UHFFFAOYSA-N
XLogP3.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[3-[(2-propan-2-ylcyclohexyl)amino]cyclobutyl]carbamate
CID 103857635
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]cyclohexyl]carbamate
CID 103785646
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate (CID 103578438) is tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate is CC(C)C1CC(NC2CCC(NC(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate?
The InChIKey is JACTYFWNPPKTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-12(2)13-10-16(11-13)19-14-6-8-15(9-7-14)20-17(21)22-18(3,4)5/h12-16,19H,6-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(3-propan-2-ylcyclobutyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 103578438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).