1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane

C9H18N2 — CID 142067287

IUPAC1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane
SMILESCC.CNCC1C=CN=CC1
InChIInChI=1S/C7H12N2.C2H6/c1-8-6-7-2-4-9-5-3-7;1-2/h2,4-5,7-8H,3,6H2,1H3;1-2H3
InChIKeyKBPAAGSNANRDKB-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.84
Rot. Bonds2

About 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane

1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane (PubChem CID 142067287) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane
PubChem CID142067287
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane
SMILESCC.CNCC1C=CN=CC1
InChIInChI=1S/C7H12N2.C2H6/c1-8-6-7-2-4-9-5-3-7;1-2/h2,4-5,7-8H,3,6H2,1H3;1-2H3
InChIKeyKBPAAGSNANRDKB-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane (CID 142067287) is 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane is CC.CNCC1C=CN=CC1.
What is the InChIKey of 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane?
The InChIKey is KBPAAGSNANRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-8-6-7-2-4-9-5-3-7;1-2/h2,4-5,7-8H,3,6H2,1H3;1-2H3.
What are the key properties of 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane?
1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane has a molecular weight of 154.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydropyridin-4-yl)-N-methylmethanamine;ethane is sourced from PubChem (CID 142067287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).