N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

C15H31N3 — CID 79319125

IUPACN-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)CC2CCCN2C)CCNC1
InChIInChI=1S/C15H31N3/c1-4-7-15(8-9-16-12-15)13-17(2)11-14-6-5-10-18(14)3/h14,16H,4-13H2,1-3H3
InChIKeyZBCOSNBRVAXLOU-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine

N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 79319125) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
PubChem CID79319125
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)CC2CCCN2C)CCNC1
InChIInChI=1S/C15H31N3/c1-4-7-15(8-9-16-12-15)13-17(2)11-14-6-5-10-18(14)3/h14,16H,4-13H2,1-3H3
InChIKeyZBCOSNBRVAXLOU-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine (CID 79319125) is N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is CCCC1(CN(C)CC2CCCN2C)CCNC1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is ZBCOSNBRVAXLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-7-15(8-9-16-12-15)13-17(2)11-14-6-5-10-18(14)3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-2-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 79319125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).