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

C15H26N4 — CID 79313465

IUPACN-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(C)CC2CCCN2C)c1
InChIInChI=1S/C15H26N4/c1-4-16-13-7-8-17-14(10-13)11-18(2)12-15-6-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,16,17)
InChIKeyNDEWJTHPFQMSJW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds6

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

N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine (PubChem CID 79313465) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
PubChem CID79313465
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN(C)CC2CCCN2C)c1
InChIInChI=1S/C15H26N4/c1-4-16-13-7-8-17-14(10-13)11-18(2)12-15-6-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,16,17)
InChIKeyNDEWJTHPFQMSJW-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine?
The IUPAC name of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine (CID 79313465) is N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine?
The canonical SMILES for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine is CCNc1ccnc(CN(C)CC2CCCN2C)c1.
What is the InChIKey of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine?
The InChIKey is NDEWJTHPFQMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-16-13-7-8-17-14(10-13)11-18(2)12-15-6-5-9-19(15)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine?
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79313465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).