5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine

C22H40N2 — CID 53316629

IUPAC5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCCCCCCCCN2CCC=C(C)C2)C1
InChIInChI=1S/C22H40N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h13-14H,3-12,15-20H2,1-2H3
InChIKeyMVMJSRPDOWPATA-UHFFFAOYSA-N
MW332.58 g/mol
LogP5.41
Rot. Bonds11

About 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine

5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine (PubChem CID 53316629) has the molecular formula C22H40N2 and a molecular weight of 332.58 g/mol. Its IUPAC name is 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
PubChem CID53316629
Molecular FormulaC22H40N2
Molecular Weight332.58 g/mol
Exact Mass332.32
IUPAC Name5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CCCN(CCCCCCCCCCN2CCC=C(C)C2)C1
InChIInChI=1S/C22H40N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h13-14H,3-12,15-20H2,1-2H3
InChIKeyMVMJSRPDOWPATA-UHFFFAOYSA-N
XLogP5.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.58
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)heptan-1-amine
CID 106315033
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-amine
CID 106314964
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpentan-1-amine
CID 106316734
6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylhexan-1-amine
CID 114172712
N-ethyl-4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
CID 106316846
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
CID 177317447
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopropan-1-amine
CID 131059396
1-[(E)-3-chloroprop-2-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 131244227
3-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-8-azabicyclo[3.2.1]octane
CID 106314982
N,2-dimethyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 106314970
4-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]aniline
CID 106314952

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine (CID 53316629) is 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine is CC1=CCCN(CCCCCCCCCCN2CCC=C(C)C2)C1.
What is the InChIKey of 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine?
The InChIKey is MVMJSRPDOWPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2/c1-21-13-11-17-23(19-21)15-9-7-5-3-4-6-8-10-16-24-18-12-14-22(2)20-24/h13-14H,3-12,15-20H2,1-2H3.
What are the key properties of 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine?
5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine has a molecular weight of 332.58 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[10-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)decyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 53316629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).