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

C9H17N — CID 66821851

IUPAC3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC1CC=CN(C(C)C)C1
InChIInChI=1S/C9H17N/c1-8(2)10-6-4-5-9(3)7-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyCERBJWKRXZIXBO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

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

3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine (PubChem CID 66821851) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine
PubChem CID66821851
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine
SMILESCC1CC=CN(C(C)C)C1
InChIInChI=1S/C9H17N/c1-8(2)10-6-4-5-9(3)7-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyCERBJWKRXZIXBO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine?
The IUPAC name of 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine (CID 66821851) is 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine is CC1CC=CN(C(C)C)C1.
What is the InChIKey of 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine?
The InChIKey is CERBJWKRXZIXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)10-6-4-5-9(3)7-10/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine?
3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 66821851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).