tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate

C19H38N2O2 — CID 107250173

IUPACtert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCCCC1C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-8-14(21-17(22)23-19(5,6)7)13-20-16-12-10-9-11-15(16)18(2,3)4/h14-16,20H,8-13H2,1-7H3,(H,21,22)
InChIKeyXZQWXBSIRQBWDD-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.48
Rot. Bonds5

About tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate

tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate (PubChem CID 107250173) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
PubChem CID107250173
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Nametert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
SMILESCCC(CNC1CCCCC1C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-8-14(21-17(22)23-19(5,6)7)13-20-16-12-10-9-11-15(16)18(2,3)4/h14-16,20H,8-13H2,1-7H3,(H,21,22)
InChIKeyXZQWXBSIRQBWDD-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[1-[(3,3-dimethylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250315
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206
tert-butyl N-[1-(azetidin-3-ylamino)butan-2-yl]carbamate
CID 107250634
tert-butyl N-[1-(2-cyclohexylethylamino)butan-2-yl]carbamate
CID 107250560
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
CID 107250366
tert-butyl N-[1-[(2-propan-2-ylcyclohexyl)amino]propan-2-yl]carbamate
CID 107247960
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]butan-2-yl]carbamate
CID 107250254
tert-butyl N-[1-[(2,6-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107250332
tert-butyl N-[1-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107250478
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate (CID 107250173) is tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate is CCC(CNC1CCCCC1C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate?
The InChIKey is XZQWXBSIRQBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-8-14(21-17(22)23-19(5,6)7)13-20-16-12-10-9-11-15(16)18(2,3)4/h14-16,20H,8-13H2,1-7H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate?
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 107250173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).