1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine

C12H23N — CID 118134846

IUPAC1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCC(C)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11H,5,7-9H2,1-4H3
InChIKeyVIOJIKIYYCEBKD-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds3

About 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine

1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 118134846) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID118134846
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCC(C)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H23N/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11H,5,7-9H2,1-4H3
InChIKeyVIOJIKIYYCEBKD-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 118134846) is 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine is CCC(C)N1CC=C(C(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is VIOJIKIYYCEBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-11(4)13-8-6-12(7-9-13)10(2)3/h6,10-11H,5,7-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 118134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).