2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C12H27N3 — CID 115254844

IUPAC2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCCC(CNC)CNC1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-11(9-13-2)10-14-12-5-7-15(3)8-6-12/h11-14H,4-10H2,1-3H3
InChIKeyCSHMTUMPLQAKAD-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.92
Rot. Bonds6

About 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 115254844) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID115254844
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCCC(CNC)CNC1CCN(C)CC1
InChIInChI=1S/C12H27N3/c1-4-11(9-13-2)10-14-12-5-7-15(3)8-6-12/h11-14H,4-10H2,1-3H3
InChIKeyCSHMTUMPLQAKAD-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
2-[[(1-methylpiperidin-4-yl)amino]methyl]pentan-1-ol
CID 142846746
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113
1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 115676989
2-[4-(2-ethylbutylamino)piperidin-1-yl]-N-methylacetamide
CID 43435262
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
N-methyl-2-(1-methylpiperidin-4-yl)oxybutan-1-amine
CID 62441247
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
1-methyl-N-(4-methylpentyl)piperidin-4-amine
CID 61043783
3-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]butanoic acid
CID 115250232

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 115254844) is 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is CCC(CNC)CNC1CCN(C)CC1.
What is the InChIKey of 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is CSHMTUMPLQAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-11(9-13-2)10-14-12-5-7-15(3)8-6-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 115254844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).