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

C12H27N3 — CID 79384952

IUPACN,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC1NCCC1CN(C)CCCN(C)C
InChIInChI=1S/C12H27N3/c1-11-12(6-7-13-11)10-15(4)9-5-8-14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyZASZKPDNJIMJCK-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.87
Rot. Bonds6

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

N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 79384952) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID79384952
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCC1NCCC1CN(C)CCCN(C)C
InChIInChI=1S/C12H27N3/c1-11-12(6-7-13-11)10-15(4)9-5-8-14(2)3/h11-13H,5-10H2,1-4H3
InChIKeyZASZKPDNJIMJCK-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 79384952) is N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is CC1NCCC1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is ZASZKPDNJIMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11-12(6-7-13-11)10-15(4)9-5-8-14(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(2-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79384952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).