5-methyl-4-propan-2-yl-3,4-dihydropyridine

C9H15N — CID 57276957

IUPAC5-methyl-4-propan-2-yl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h5-7,9H,4H2,1-3H3
InChIKeyABYOMQWFMHNFAF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.64
Rot. Bonds1

About 5-methyl-4-propan-2-yl-3,4-dihydropyridine

5-methyl-4-propan-2-yl-3,4-dihydropyridine (PubChem CID 57276957) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-3,4-dihydropyridine
PubChem CID57276957
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-methyl-4-propan-2-yl-3,4-dihydropyridine
SMILESCC1=CN=CCC1C(C)C
InChIInChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h5-7,9H,4H2,1-3H3
InChIKeyABYOMQWFMHNFAF-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-5-propan-2-yl-4,5-dihydro-3H-azepine
CID 123302321
3-Fluoro-5-propan-2-yl-3,4-dihydropyridine
CID 166850650
5-Ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
CID 167009176
3,7-Diethyl-5-azanona-3,5-diene
CID 12413470
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
5-Tert-butyl-3,4-dihydropyridine
CID 14979267
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
4,5-Dimethyl-3,4-dihydropyridine
CID 14979272
2-ethyl-N-[(E)-2-ethylhex-1-enyl]hexan-1-imine
CID 20436141

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-3,4-dihydropyridine?
The IUPAC name of 5-methyl-4-propan-2-yl-3,4-dihydropyridine (CID 57276957) is 5-methyl-4-propan-2-yl-3,4-dihydropyridine.
What is the SMILES notation for 5-methyl-4-propan-2-yl-3,4-dihydropyridine?
The canonical SMILES for 5-methyl-4-propan-2-yl-3,4-dihydropyridine is CC1=CN=CCC1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-3,4-dihydropyridine?
The InChIKey is ABYOMQWFMHNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-4-5-10-6-8(9)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-3,4-dihydropyridine?
5-methyl-4-propan-2-yl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-3,4-dihydropyridine is sourced from PubChem (CID 57276957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).