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

C12H21N3 — CID 66400440

IUPAC1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
SMILESCN1CCC(CNCc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3/c1-14-5-3-11(9-14)7-13-8-12-4-6-15(2)10-12/h3,5,9,12-13H,4,6-8,10H2,1-2H3
InChIKeyDSJPONFYJZCQED-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.07
Rot. Bonds4

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

1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine (PubChem CID 66400440) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
PubChem CID66400440
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
SMILESCN1CCC(CNCc2ccn(C)c2)C1
InChIInChI=1S/C12H21N3/c1-14-5-3-11(9-14)7-13-8-12-4-6-15(2)10-12/h3,5,9,12-13H,4,6-8,10H2,1-2H3
InChIKeyDSJPONFYJZCQED-UHFFFAOYSA-N
XLogP1.07
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
1-(1-methylpyrrolidin-3-yl)-N-[(4-trimethylsilylphenyl)methyl]methanamine
CID 103437599
1-(1-methylpyrrolidin-3-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]methanamine
CID 60855756
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
N-[(3-bromo-4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 115876249
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]phenol
CID 54927262
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 66413133
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 64799883

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine (CID 66400440) is 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine is CN1CCC(CNCc2ccn(C)c2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
The InChIKey is DSJPONFYJZCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-14-5-3-11(9-14)7-13-8-12-4-6-15(2)10-12/h3,5,9,12-13H,4,6-8,10H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine?
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 66400440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).