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

C15H26N4 — CID 80634857

IUPAC5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CCN)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H26N4/c1-12-8-13(4-6-16)9-17-15(12)19(3)11-14-5-7-18(2)10-14/h8-9,14H,4-7,10-11,16H2,1-3H3
InChIKeyBDACSLJOCWNMJW-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.28
Rot. Bonds5

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

5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 80634857) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID80634857
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CCN)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C15H26N4/c1-12-8-13(4-6-16)9-17-15(12)19(3)11-14-5-7-18(2)10-14/h8-9,14H,4-7,10-11,16H2,1-3H3
InChIKeyBDACSLJOCWNMJW-UHFFFAOYSA-N
XLogP1.28
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 80634857) is 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is Cc1cc(CCN)cnc1N(C)CC1CCN(C)C1.
What is the InChIKey of 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is BDACSLJOCWNMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-8-13(4-6-16)9-17-15(12)19(3)11-14-5-7-18(2)10-14/h8-9,14H,4-7,10-11,16H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N,3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80634857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).