tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate

C12H26N2O2 — CID 107247367

IUPACtert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
SMILESCCC(C)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-9(2)13-8-10(3)14-11(15)16-12(4,5)6/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyJMPOGSWQRIMAST-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.29
Rot. Bonds5

About tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate (PubChem CID 107247367) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
PubChem CID107247367
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nametert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
SMILESCCC(C)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-7-9(2)13-8-10(3)14-11(15)16-12(4,5)6/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyJMPOGSWQRIMAST-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate
CID 162512524
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
CID 103901727
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate (CID 107247367) is tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate is CCC(C)NCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is JMPOGSWQRIMAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-9(2)13-8-10(3)14-11(15)16-12(4,5)6/h9-10,13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 230.35 g/mol, XLogP of 2.29, 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-(butan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).