tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate

C18H36N2O2 — CID 107250206

IUPACtert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-7-15(20-17(21)22-18(4,5)6)12-19-16-10-8-14(9-11-16)13(2)3/h13-16,19H,7-12H2,1-6H3,(H,20,21)
InChIKeyWGKCDUYTFBWYOX-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.09
Rot. Bonds6

About tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate

tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate (PubChem CID 107250206) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
PubChem CID107250206
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O2/c1-7-15(20-17(21)22-18(4,5)6)12-19-16-10-8-14(9-11-16)13(2)3/h13-16,19H,7-12H2,1-6H3,(H,20,21)
InChIKeyWGKCDUYTFBWYOX-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
tert-butyl N-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250315
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[1-cyclopropyl-2-[(4-hydroxycyclohexyl)amino]ethyl]carbamate
CID 107243978
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-[1-cyclopropyl-2-(thian-4-ylamino)ethyl]carbamate
CID 103872279
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate (CID 107250206) is tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate is CCC(CNC1CCC(C(C)C)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate?
The InChIKey is WGKCDUYTFBWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-7-15(20-17(21)22-18(4,5)6)12-19-16-10-8-14(9-11-16)13(2)3/h13-16,19H,7-12H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107250206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).