1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine

C9H17N — CID 118136654

IUPAC1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CC=CN(C)C1
InChIInChI=1S/C9H17N/c1-8(2)9-5-4-6-10(3)7-9/h4,6,8-9H,5,7H2,1-3H3
InChIKeyVCSCRPWCTUFGDL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.11
Rot. Bonds1

About 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine

1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine (PubChem CID 118136654) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine
PubChem CID118136654
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CC=CN(C)C1
InChIInChI=1S/C9H17N/c1-8(2)9-5-4-6-10(3)7-9/h4,6,8-9H,5,7H2,1-3H3
InChIKeyVCSCRPWCTUFGDL-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1-methyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 155066771
Ethyl-methyl-isooctenyl amine
CID 54102089
3-methyl-N-(trans-1-propenyl)-1,2,3,4-tetrahydropyridine
CID 129740194
N,N,3-triethyl-2-methylpent-4-en-1-amine
CID 170848096
1-Ethyl-3-fluoro-3-methyl-4-(3-methylbutyl)-2,4-dihydropyridine
CID 176558443
Trimethyl(2-prop-2-enylpent-4-enyl)azanium
CID 11715401
1,2,3-trimethyl-3,4-dihydro-2H-pyridine
CID 20616045
1,2,4-trimethyl-3,4-dihydro-2H-pyridine
CID 20616047
1,3-dimethyl-3,4-dihydro-2H-pyridine
CID 21624309
1,5-dimethyl-4-propan-2-yl-3,4-dihydro-2H-pyridine
CID 21721316
1,2,2,3,3,4,4-Heptamethylpyridine
CID 53654846
1-methyl-4-propyl-3,4-dihydro-2H-pyridine
CID 53867295

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine (CID 118136654) is 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine is CC(C)C1CC=CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine?
The InChIKey is VCSCRPWCTUFGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)9-5-4-6-10(3)7-9/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine?
1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 118136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).