1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine

C15H29N — CID 139398798

IUPAC1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1=C(C)CC(C)CN1C(C)CC
InChIInChI=1S/C15H29N/c1-6-8-9-15-13(4)10-12(3)11-16(15)14(5)7-2/h12,14H,6-11H2,1-5H3
InChIKeyDQLIQXSZXKRUAA-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.59
Rot. Bonds5

About 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine

1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine (PubChem CID 139398798) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine
PubChem CID139398798
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine
SMILESCCCCC1=C(C)CC(C)CN1C(C)CC
InChIInChI=1S/C15H29N/c1-6-8-9-15-13(4)10-12(3)11-16(15)14(5)7-2/h12,14H,6-11H2,1-5H3
InChIKeyDQLIQXSZXKRUAA-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine (CID 139398798) is 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine is CCCCC1=C(C)CC(C)CN1C(C)CC.
What is the InChIKey of 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine?
The InChIKey is DQLIQXSZXKRUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-6-8-9-15-13(4)10-12(3)11-16(15)14(5)7-2/h12,14H,6-11H2,1-5H3.
What are the key properties of 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine?
1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine has a molecular weight of 223.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 139398798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).