tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate

C15H32N2O2 — CID 103788233

IUPACtert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCCCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-9-10-12(2)16-11-15(6,7)17-13(18)19-14(3,4)5/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyIDLOOLOLMJTFLP-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.46
Rot. Bonds7

About tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 103788233) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
PubChem CID103788233
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCCCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-9-10-12(2)16-11-15(6,7)17-13(18)19-14(3,4)5/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyIDLOOLOLMJTFLP-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788272
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
tert-butyl N-[[4-[(hexan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 107244289
tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249962
tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
CID 107250019
tert-butyl 2-(heptan-2-ylamino)acetate
CID 60680829
tert-butyl N-[1-(hexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62201361
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate (CID 103788233) is tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate is CCCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is IDLOOLOLMJTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-9-10-12(2)16-11-15(6,7)17-13(18)19-14(3,4)5/h12,16H,8-11H2,1-7H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103788233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).