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

C12H27N3 — CID 115254845

IUPAC2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCCC(CNC)CNC1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-4-11(8-13-2)9-14-12-6-5-7-15(3)10-12/h11-14H,4-10H2,1-3H3
InChIKeyQDSLGBBHXGHERS-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.92
Rot. Bonds6

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

2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (PubChem CID 115254845) 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-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
PubChem CID115254845
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCCC(CNC)CNC1CCCN(C)C1
InChIInChI=1S/C12H27N3/c1-4-11(8-13-2)9-14-12-6-5-7-15(3)10-12/h11-14H,4-10H2,1-3H3
InChIKeyQDSLGBBHXGHERS-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-4-yl)propane-1,3-diamine
CID 115254844
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
3-N-(1-methylpiperidin-3-yl)propane-1,2,3-triamine
CID 115119475
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252723
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
3-hydroxy-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115122911
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (CID 115254845) is 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is CCC(CNC)CNC1CCCN(C)C1.
What is the InChIKey of 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The InChIKey is QDSLGBBHXGHERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-11(8-13-2)9-14-12-6-5-7-15(3)10-12/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-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-3-yl)propane-1,3-diamine is sourced from PubChem (CID 115254845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).