tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate

C13H29N3O2 — CID 103389411

IUPACtert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C)N(C)C
InChIInChI=1S/C13H29N3O2/c1-10(14-9-11(2)16(6)7)8-15-12(17)18-13(3,4)5/h10-11,14H,8-9H2,1-7H3,(H,15,17)
InChIKeyMALNERXYAFDNOP-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.44
Rot. Bonds6

About tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate

tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate (PubChem CID 103389411) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
PubChem CID103389411
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Nametert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCC(C)N(C)C
InChIInChI=1S/C13H29N3O2/c1-10(14-9-11(2)16(6)7)8-15-12(17)18-13(3,4)5/h10-11,14H,8-9H2,1-7H3,(H,15,17)
InChIKeyMALNERXYAFDNOP-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[[2-(dimethylamino)-4-methylpentyl]amino]propyl]carbamate
CID 103387660
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]carbamate
CID 107248510
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-[[1-(dimethylamino)propan-2-ylamino]methyl]-3-methylbutyl]carbamate
CID 107442613
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate (CID 103389411) is tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCC(C)N(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate?
The InChIKey is MALNERXYAFDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-10(14-9-11(2)16(6)7)8-15-12(17)18-13(3,4)5/h10-11,14H,8-9H2,1-7H3,(H,15,17).
What are the key properties of tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate?
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate has a molecular weight of 259.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate is sourced from PubChem (CID 103389411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).