4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

C14H23ClN4 — CID 114926731

IUPAC4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCN1CCCC1CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C14H23ClN4/c1-3-19-6-4-5-12(19)10-18(2)14-7-11(8-16)13(15)9-17-14/h7,9,12H,3-6,8,10,16H2,1-2H3
InChIKeyXFUJFFGNTTUHOT-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.11
Rot. Bonds5

About 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 114926731) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID114926731
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCN1CCCC1CN(C)c1cc(CN)c(Cl)cn1
InChIInChI=1S/C14H23ClN4/c1-3-19-6-4-5-12(19)10-18(2)14-7-11(8-16)13(15)9-17-14/h7,9,12H,3-6,8,10,16H2,1-2H3
InChIKeyXFUJFFGNTTUHOT-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
2-(aminomethyl)-4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79304544
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 79303751
4,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 79315342
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
2-(aminomethyl)-3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79303489
N-[(4,6-dichloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 116519037
5-(2-aminobutyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 80629731
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carbothioamide
CID 79318536

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (CID 114926731) is 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is CCN1CCCC1CN(C)c1cc(CN)c(Cl)cn1.
What is the InChIKey of 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is XFUJFFGNTTUHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-3-19-6-4-5-12(19)10-18(2)14-7-11(8-16)13(15)9-17-14/h7,9,12H,3-6,8,10,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 282.82 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 114926731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).