ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine

C16H35N3 — CID 142961076

IUPACethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine
SMILESC/C=C\C=C/CCN1CCC(NC)CC1.CC.CN
InChIInChI=1S/C13H24N2.C2H6.CH5N/c1-3-4-5-6-7-10-15-11-8-13(14-2)9-12-15;2*1-2/h3-6,13-14H,7-12H2,1-2H3;1-2H3;2H2,1H3/b4-3-,6-5-;;
InChIKeyKGBXZNIPENSWIO-QNQCLSKXSA-N
MW269.48 g/mol
LogP2.79
Rot. Bonds5

About ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine

ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine (PubChem CID 142961076) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine.

Molecular Properties

Compound Nameethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine
PubChem CID142961076
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Nameethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine
SMILESC/C=C\C=C/CCN1CCC(NC)CC1.CC.CN
InChIInChI=1S/C13H24N2.C2H6.CH5N/c1-3-4-5-6-7-10-15-11-8-13(14-2)9-12-15;2*1-2/h3-6,13-14H,7-12H2,1-2H3;1-2H3;2H2,1H3/b4-3-,6-5-;;
InChIKeyKGBXZNIPENSWIO-QNQCLSKXSA-N
XLogP2.79
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine?
The IUPAC name of ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine (CID 142961076) is ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine.
What is the SMILES notation for ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine?
The canonical SMILES for ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine is C/C=C\C=C/CCN1CCC(NC)CC1.CC.CN.
What is the InChIKey of ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine?
The InChIKey is KGBXZNIPENSWIO-QNQCLSKXSA-N. The full InChI is InChI=1S/C13H24N2.C2H6.CH5N/c1-3-4-5-6-7-10-15-11-8-13(14-2)9-12-15;2*1-2/h3-6,13-14H,7-12H2,1-2H3;1-2H3;2H2,1H3/b4-3-,6-5-;;.
What are the key properties of ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine?
ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine has a molecular weight of 269.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine is sourced from PubChem (CID 142961076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).