tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate

C14H31N3O2 — CID 107442960

IUPACtert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
SMILESCC(CNCC(CN)C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-10(2)12(7-15)9-16-8-11(3)17-13(18)19-14(4,5)6/h10-12,16H,7-9,15H2,1-6H3,(H,17,18)
InChIKeyWSCDBKQIWGGMCX-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.72
Rot. Bonds7

About tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate

tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate (PubChem CID 107442960) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
PubChem CID107442960
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nametert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
SMILESCC(CNCC(CN)C(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O2/c1-10(2)12(7-15)9-16-8-11(3)17-13(18)19-14(4,5)6/h10-12,16H,7-9,15H2,1-6H3,(H,17,18)
InChIKeyWSCDBKQIWGGMCX-UHFFFAOYSA-N
XLogP1.72
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-[(2R)-1-(2-chloroprop-2-enylamino)propan-2-yl]carbamate
CID 130774480
tert-butyl N-[1-(1,1-difluoropropan-2-ylamino)propan-2-yl]carbamate
CID 107247716
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate (CID 107442960) is tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate is CC(CNCC(CN)C(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate?
The InChIKey is WSCDBKQIWGGMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-10(2)12(7-15)9-16-8-11(3)17-13(18)19-14(4,5)6/h10-12,16H,7-9,15H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate?
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate has a molecular weight of 273.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 107442960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).