3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

C14H24N4 — CID 81468805

IUPAC3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)Cc2cccnc2)CN1C
InChIInChI=1S/C14H24N4/c1-12-7-14(10-15,11-17(12)2)18(3)9-13-5-4-6-16-8-13/h4-6,8,12H,7,9-11,15H2,1-3H3
InChIKeyAYYISLADTBTIGU-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.93
Rot. Bonds4

About 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 81468805) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
PubChem CID81468805
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCC1CC(CN)(N(C)Cc2cccnc2)CN1C
InChIInChI=1S/C14H24N4/c1-12-7-14(10-15,11-17(12)2)18(3)9-13-5-4-6-16-8-13/h4-6,8,12H,7,9-11,15H2,1-3H3
InChIKeyAYYISLADTBTIGU-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (CID 81468805) is 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is CC1CC(CN)(N(C)Cc2cccnc2)CN1C.
What is the InChIKey of 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is AYYISLADTBTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-7-14(10-15,11-17(12)2)18(3)9-13-5-4-6-16-8-13/h4-6,8,12H,7,9-11,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,1,5-trimethyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 81468805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).