4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

C13H22N4 — CID 79303386

IUPAC4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1cc(CN)ccn1
InChIInChI=1S/C13H22N4/c1-16-7-3-4-12(16)10-17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,9-10,14H2,1-2H3
InChIKeyBVFXSBHKUDHVPK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.07
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine

4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (PubChem CID 79303386) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
PubChem CID79303386
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
SMILESCN(CC1CCCN1C)c1cc(CN)ccn1
InChIInChI=1S/C13H22N4/c1-16-7-3-4-12(16)10-17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,9-10,14H2,1-2H3
InChIKeyBVFXSBHKUDHVPK-UHFFFAOYSA-N
XLogP1.07
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine (CID 79303386) is 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is CN(CC1CCCN1C)c1cc(CN)ccn1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
The InChIKey is BVFXSBHKUDHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-7-3-4-12(16)10-17(2)13-8-11(9-14)5-6-15-13/h5-6,8,12H,3-4,7,9-10,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine?
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79303386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).