ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

C16H30N2O — CID 143346562

IUPACethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC/C=C(C)\C=C/C1=C(C)CN(C=O)CC1.CC.CN
InChIInChI=1S/C13H19NO.C2H6.CH5N/c1-4-11(2)5-6-13-7-8-14(10-15)9-12(13)3;2*1-2/h4-6,10H,7-9H2,1-3H3;1-2H3;2H2,1H3/b6-5-,11-4-;;
InChIKeyKZWDXCKJRPJQHI-NNOGCUPJSA-N
MW266.43 g/mol
LogP3.29
Rot. Bonds3

About ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde

ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 143346562) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID143346562
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESC/C=C(C)\C=C/C1=C(C)CN(C=O)CC1.CC.CN
InChIInChI=1S/C13H19NO.C2H6.CH5N/c1-4-11(2)5-6-13-7-8-14(10-15)9-12(13)3;2*1-2/h4-6,10H,7-9H2,1-3H3;1-2H3;2H2,1H3/b6-5-,11-4-;;
InChIKeyKZWDXCKJRPJQHI-NNOGCUPJSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 143346562) is ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is C/C=C(C)\C=C/C1=C(C)CN(C=O)CC1.CC.CN.
What is the InChIKey of ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is KZWDXCKJRPJQHI-NNOGCUPJSA-N. The full InChI is InChI=1S/C13H19NO.C2H6.CH5N/c1-4-11(2)5-6-13-7-8-14(10-15)9-12(13)3;2*1-2/h4-6,10H,7-9H2,1-3H3;1-2H3;2H2,1H3/b6-5-,11-4-;;.
What are the key properties of ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde?
ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 266.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;5-methyl-4-[(1Z,3Z)-3-methylpenta-1,3-dienyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 143346562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).