tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate

C13H28N2O2 — CID 117003967

IUPACtert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)7-10-15(9-6-8-14)12(16)17-13(3,4)5/h11H,6-10,14H2,1-5H3
InChIKeyULFYKPIWQQJLBS-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate

tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate (PubChem CID 117003967) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
PubChem CID117003967
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
SMILESCC(C)CCN(CCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)7-10-15(9-6-8-14)12(16)17-13(3,4)5/h11H,6-10,14H2,1-5H3
InChIKeyULFYKPIWQQJLBS-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668
tert-butyl N-(3-aminopropyl)-N-[4-(methylamino)butyl]carbamate
CID 134854632
tert-butyl N-[(3S)-3-aminobutyl]-N-(3-hydroxypropyl)carbamate
CID 58080924
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
tert-butyl N-(3-aminopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 10958907
tert-butyl N-(3-aminopropyl)-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 11411236
tert-butyl N-(3-aminopropyl)-N-[6-[(2-methylpropan-2-yl)oxycarbonyl-[8-[(2-methylpropan-2-yl)oxycarbonyl-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]octyl]amino]hexyl]carbamate
CID 11803452
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184684
tert-butyl N-ethyl-N-(3-methylbutyl)carbamate;prop-1-ene
CID 143879621
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate (CID 117003967) is tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate is CC(C)CCN(CCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate?
The InChIKey is ULFYKPIWQQJLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)7-10-15(9-6-8-14)12(16)17-13(3,4)5/h11H,6-10,14H2,1-5H3.
What are the key properties of tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate?
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 117003967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).