4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine

C9H16N2 — CID 170412019

IUPAC4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine
SMILESCC1C=C(NC(C)C)N=CC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9-6-8(3)4-5-10-9/h5-8,11H,4H2,1-3H3
InChIKeyJVDBKPQXZCJSRK-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.94
Rot. Bonds2

About 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine

4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine (PubChem CID 170412019) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine
PubChem CID170412019
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine
SMILESCC1C=C(NC(C)C)N=CC1
InChIInChI=1S/C9H16N2/c1-7(2)11-9-6-8(3)4-5-10-9/h5-8,11H,4H2,1-3H3
InChIKeyJVDBKPQXZCJSRK-UHFFFAOYSA-N
XLogP1.94
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine (CID 170412019) is 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine is CC1C=C(NC(C)C)N=CC1.
What is the InChIKey of 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine?
The InChIKey is JVDBKPQXZCJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)11-9-6-8(3)4-5-10-9/h5-8,11H,4H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine?
4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine has a molecular weight of 152.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 170412019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).