ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine

C21H42N2 — CID 143207315

IUPACethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine
SMILESC/C=C\C=C(/CN1CCCCC1)C(N)CCCCCCC.CC
InChIInChI=1S/C19H36N2.C2H6/c1-3-5-7-8-10-14-19(20)18(13-6-4-2)17-21-15-11-9-12-16-21;1-2/h4,6,13,19H,3,5,7-12,14-17,20H2,1-2H3;1-2H3/b6-4-,18-13+;
InChIKeyFYVDQIRSWILOFG-ZXJQMLAYSA-N
MW322.58 g/mol
LogP5.69
Rot. Bonds10

About ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine

ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine (PubChem CID 143207315) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine.

Molecular Properties

Compound Nameethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine
PubChem CID143207315
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Nameethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine
SMILESC/C=C\C=C(/CN1CCCCC1)C(N)CCCCCCC.CC
InChIInChI=1S/C19H36N2.C2H6/c1-3-5-7-8-10-14-19(20)18(13-6-4-2)17-21-15-11-9-12-16-21;1-2/h4,6,13,19H,3,5,7-12,14-17,20H2,1-2H3;1-2H3/b6-4-,18-13+;
InChIKeyFYVDQIRSWILOFG-ZXJQMLAYSA-N
XLogP5.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
ethane;1-nonylpiperidine
CID 177011009
(2Z)-2-[(E)-but-2-enylidene]-1-pyrrolidin-1-yloctan-1-one
CID 132523022
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
1-(4-pentylnonyl)piperidine
CID 68557490
1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(3-pentyldecyl)pyrrolidine
CID 130279619

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine?
The IUPAC name of ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine (CID 143207315) is ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine.
What is the SMILES notation for ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine?
The canonical SMILES for ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine is C/C=C\C=C(/CN1CCCCC1)C(N)CCCCCCC.CC.
What is the InChIKey of ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine?
The InChIKey is FYVDQIRSWILOFG-ZXJQMLAYSA-N. The full InChI is InChI=1S/C19H36N2.C2H6/c1-3-5-7-8-10-14-19(20)18(13-6-4-2)17-21-15-11-9-12-16-21;1-2/h4,6,13,19H,3,5,7-12,14-17,20H2,1-2H3;1-2H3/b6-4-,18-13+;.
What are the key properties of ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine?
ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine has a molecular weight of 322.58 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-5-(piperidin-1-ylmethyl)trideca-2,4-dien-6-amine is sourced from PubChem (CID 143207315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).