2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

C13H29N3 — CID 115255113

IUPAC2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCCC(CNC)CN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-5-12(8-14-2)9-16(4)11-13-6-7-15(3)10-13/h12-14H,5-11H2,1-4H3
InChIKeyMELIYGAXKHZIOJ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.12
Rot. Bonds7

About 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 115255113) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID115255113
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCCC(CNC)CN(C)CC1CCN(C)C1
InChIInChI=1S/C13H29N3/c1-5-12(8-14-2)9-16(4)11-13-6-7-15(3)10-13/h12-14H,5-11H2,1-4H3
InChIKeyMELIYGAXKHZIOJ-UHFFFAOYSA-N
XLogP1.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 63275561
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 115254844
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64759351
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 115255113) is 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is CCC(CNC)CN(C)CC1CCN(C)C1.
What is the InChIKey of 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is MELIYGAXKHZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-12(8-14-2)9-16(4)11-13-6-7-15(3)10-13/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115255113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).