5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C14H24N4 — CID 80636014

IUPAC5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C14H24N4/c1-11-6-13(7-15)8-16-14(11)18(3)10-12-4-5-17(2)9-12/h6,8,12H,4-5,7,9-10,15H2,1-3H3
InChIKeyJCCGBTBLOLECGO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.24
Rot. Bonds4

About 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 80636014) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID80636014
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C14H24N4/c1-11-6-13(7-15)8-16-14(11)18(3)10-12-4-5-17(2)9-12/h6,8,12H,4-5,7,9-10,15H2,1-3H3
InChIKeyJCCGBTBLOLECGO-UHFFFAOYSA-N
XLogP1.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 80634857
3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636101
[5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-pyridinyl]methanol
CID 55172012
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
5-(2-aminopropyl)-N-(cyclopentylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634568
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63273907
5-(aminomethyl)-N-(1-cyclopropylethyl)-N,3-dimethylpyridin-2-amine
CID 80630561
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
2-(aminomethyl)-N,4-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 107926216

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 80636014) is 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is Cc1cc(CN)cnc1N(C)CC1CCN(C)C1.
What is the InChIKey of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is JCCGBTBLOLECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11-6-13(7-15)8-16-14(11)18(3)10-12-4-5-17(2)9-12/h6,8,12H,4-5,7,9-10,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80636014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).