tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate

C15H33N3O2 — CID 57299810

IUPACtert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCN)CCCCCCN
InChIInChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(13-9-7-11-17)12-8-5-4-6-10-16/h4-13,16-17H2,1-3H3
InChIKeyUQARIMDOQSTGCB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.48
Rot. Bonds10

About tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate

tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate (PubChem CID 57299810) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
PubChem CID57299810
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Nametert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCCCN)CCCCCCN
InChIInChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(13-9-7-11-17)12-8-5-4-6-10-16/h4-13,16-17H2,1-3H3
InChIKeyUQARIMDOQSTGCB-UHFFFAOYSA-N
XLogP2.48
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
tert-butyl N-(4-aminobutyl)-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 10995997
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-(3-aminopropyl)-N-[4-(methylamino)butyl]carbamate
CID 134854632
tert-butyl N-(7-aminoheptyl)-N-(2-phenylethyl)carbamate
CID 146018002
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-(3-aminopropyl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 10958907
tert-butyl N-(6-aminohexyl)-N-sulfanylcarbamate
CID 167244428
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate (CID 57299810) is tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate is CC(C)(C)OC(=O)N(CCCCN)CCCCCCN.
What is the InChIKey of tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate?
The InChIKey is UQARIMDOQSTGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-15(2,3)20-14(19)18(13-9-7-11-17)12-8-5-4-6-10-16/h4-13,16-17H2,1-3H3.
What are the key properties of tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate?
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate has a molecular weight of 287.45 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate is sourced from PubChem (CID 57299810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).