2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane

C15H38N4 — CID 144892245

IUPAC2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane
SMILESCCC.CCC(C)(CN(C)C)NCCN(C)CCN
InChIInChI=1S/C12H30N4.C3H8/c1-6-12(2,11-15(3)4)14-8-10-16(5)9-7-13;1-3-2/h14H,6-11,13H2,1-5H3;3H2,1-2H3
InChIKeyFTECKXMHLJWNOQ-UHFFFAOYSA-N
MW274.50 g/mol
LogP1.61
Rot. Bonds9

About 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane

2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane (PubChem CID 144892245) has the molecular formula C15H38N4 and a molecular weight of 274.50 g/mol. Its IUPAC name is 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane.

Molecular Properties

Compound Name2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane
PubChem CID144892245
Molecular FormulaC15H38N4
Molecular Weight274.50 g/mol
Exact Mass274.31
IUPAC Name2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane
SMILESCCC.CCC(C)(CN(C)C)NCCN(C)CCN
InChIInChI=1S/C12H30N4.C3H8/c1-6-12(2,11-15(3)4)14-8-10-16(5)9-7-13;1-3-2/h14H,6-11,13H2,1-5H3;3H2,1-2H3
InChIKeyFTECKXMHLJWNOQ-UHFFFAOYSA-N
XLogP1.61
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane with MolForge

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Related Compounds

N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
ethane;N'-methyl-N'-propylethane-1,2-diamine
CID 164863386
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005
1-N-(3-aminopropyl)-1-N',1-N',1-N",1-N"-tetramethylpropane-1,1,1-triamine
CID 87177269
N'-[2-[2-[methyl(propyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 154558458
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane?
The IUPAC name of 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane (CID 144892245) is 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane.
What is the SMILES notation for 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane?
The canonical SMILES for 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane is CCC.CCC(C)(CN(C)C)NCCN(C)CCN.
What is the InChIKey of 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane?
The InChIKey is FTECKXMHLJWNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N4.C3H8/c1-6-12(2,11-15(3)4)14-8-10-16(5)9-7-13;1-3-2/h14H,6-11,13H2,1-5H3;3H2,1-2H3.
What are the key properties of 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane?
2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane has a molecular weight of 274.50 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-aminoethyl(methyl)amino]ethyl]-1-N,1-N,2-trimethylbutane-1,2-diamine;propane is sourced from PubChem (CID 144892245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).