N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine

C12H29N3 — CID 102994226

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
SMILESCCN(CCCN(C)C)CC(C)CCN
InChIInChI=1S/C12H29N3/c1-5-15(10-6-9-14(3)4)11-12(2)7-8-13/h12H,5-11,13H2,1-4H3
InChIKeyFIIIJGZIMDTDLK-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.24
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine

N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine (PubChem CID 102994226) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
PubChem CID102994226
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine
SMILESCCN(CCCN(C)C)CC(C)CCN
InChIInChI=1S/C12H29N3/c1-5-15(10-6-9-14(3)4)11-12(2)7-8-13/h12H,5-11,13H2,1-4H3
InChIKeyFIIIJGZIMDTDLK-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-2-methylpentane-1,5-diamine
CID 104681772
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
2-[[3-(dimethylamino)propyl-ethylamino]methyl]-3-methylbutane-1-thiol
CID 102998690
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
N-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 138647953
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
4-[3-(dimethylamino)propyl-ethylamino]-3-(methylamino)butan-1-ol
CID 102992320
N'-ethyl-N,N-dimethyl-N'-[2-(5-methylhexan-2-ylamino)ethyl]propane-1,3-diamine
CID 102997759

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine (CID 102994226) is N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine is CCN(CCCN(C)C)CC(C)CCN.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine?
The InChIKey is FIIIJGZIMDTDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-5-15(10-6-9-14(3)4)11-12(2)7-8-13/h12H,5-11,13H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine?
N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-methylbutane-1,4-diamine is sourced from PubChem (CID 102994226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).