tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate

C15H32N2O2 — CID 103901727

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

About tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate

tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate (PubChem CID 103901727) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
PubChem CID103901727
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Nametert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate
SMILESCCC(NCCC(C)NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H32N2O2/c1-8-13(11(2)3)16-10-9-12(4)17-14(18)19-15(5,6)7/h11-13,16H,8-10H2,1-7H3,(H,17,18)
InChIKeyXWEJAFFBFXHHJX-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-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[4-(heptan-3-ylamino)butan-2-yl]carbamate
CID 103901691
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propanoic acid
CID 107247028
tert-butyl N-[4-(6,6,6-trifluorohexan-2-ylamino)butan-2-yl]carbamate
CID 104925089
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[4-[1-(4-chlorophenyl)propylamino]butan-2-yl]carbamate
CID 107247097
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245904

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate (CID 103901727) is tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate is CCC(NCCC(C)NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate?
The InChIKey is XWEJAFFBFXHHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-13(11(2)3)16-10-9-12(4)17-14(18)19-15(5,6)7/h11-13,16H,8-10H2,1-7H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate?
tert-butyl N-[4-(2-methylpentan-3-ylamino)butan-2-yl]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-[4-(2-methylpentan-3-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 103901727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).