tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate

C15H32N2O2 — CID 107251188

IUPACtert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)C(C)CC
InChIInChI=1S/C15H32N2O2/c1-8-11(3)12(4)17-13(9-2)10-16-14(18)19-15(5,6)7/h11-13,17H,8-10H2,1-7H3,(H,16,18)
InChIKeyOMSNNTDXISBANQ-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.31
Rot. Bonds7

About tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate

tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate (PubChem CID 107251188) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
PubChem CID107251188
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)C(C)CC
InChIInChI=1S/C15H32N2O2/c1-8-11(3)12(4)17-13(9-2)10-16-14(18)19-15(5,6)7/h11-13,17H,8-10H2,1-7H3,(H,16,18)
InChIKeyOMSNNTDXISBANQ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)pentyl]carbamate
CID 107253648
tert-butyl N-[(2R,3S)-2-(hydroxymethyl)-3-methylpentyl]carbamate
CID 75365792
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl N-[2-[1-(2,6-difluorophenyl)ethylamino]butyl]carbamate
CID 107251177
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)hexyl]carbamate
CID 107256508

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate (CID 107251188) is tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(C)C(C)CC.
What is the InChIKey of tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate?
The InChIKey is OMSNNTDXISBANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-11(3)12(4)17-13(9-2)10-16-14(18)19-15(5,6)7/h11-13,17H,8-10H2,1-7H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate?
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate has a molecular weight of 272.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate is sourced from PubChem (CID 107251188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).