ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine

C14H28N2 — CID 176680607

IUPACethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCC.CCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyBNCVWHYMWJELIV-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.09
Rot. Bonds3

About ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine

ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (PubChem CID 176680607) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
PubChem CID176680607
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine
SMILESCC.CCCN(C)C1=NC=C(C(C)C)CC1
InChIInChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyBNCVWHYMWJELIV-UHFFFAOYSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-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

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The IUPAC name of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine (CID 176680607) is ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The canonical SMILES for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is CC.CCCN(C)C1=NC=C(C(C)C)CC1.
What is the InChIKey of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
The InChIKey is BNCVWHYMWJELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-5-8-14(4)12-7-6-11(9-13-12)10(2)3;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine?
ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine has a molecular weight of 224.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-propan-2-yl-N-propyl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 176680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).