(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine

C15H24N2O — CID 143996935

IUPAC(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine
SMILESC=C/C=C(C)\C(=C/C/C=C1\CCCNC1N)OC
InChIInChI=1S/C15H24N2O/c1-4-7-12(2)14(18-3)10-5-8-13-9-6-11-17-15(13)16/h4,7-8,10,15,17H,1,5-6,9,11,16H2,2-3H3/b12-7-,13-8+,14-10+
InChIKeyJBILPSWYGZRTMN-JVQALEFTSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds5

About (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine

(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine (PubChem CID 143996935) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine.

Molecular Properties

Compound Name(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine
PubChem CID143996935
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine
SMILESC=C/C=C(C)\C(=C/C/C=C1\CCCNC1N)OC
InChIInChI=1S/C15H24N2O/c1-4-7-12(2)14(18-3)10-5-8-13-9-6-11-17-15(13)16/h4,7-8,10,15,17H,1,5-6,9,11,16H2,2-3H3/b12-7-,13-8+,14-10+
InChIKeyJBILPSWYGZRTMN-JVQALEFTSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 88308841
1-N'-[(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dienyl]hexane-1,1-diamine
CID 88926733
1-[(3Z,4Z)-3-ethylidene-6-methoxyhepta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 129045607
1-[(4Z,6E)-6-methoxy-3-methylideneocta-4,6-dienyl]-N-methylpiperidin-4-amine
CID 135293155
(3Z)-3-[(2E)-2-methoxypenta-2,4-dienylidene]-2,4,6,6-tetramethyl-1,2-dihydropyridine
CID 143024917
7,8-dimethoxy-2,3,4,6-tetrahydro-1H-cyclohepta[c]pyridine
CID 143090871
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
CID 143617057
1-[(3E,4Z)-3-butan-2-ylidene-6-methoxyhepta-4,6-dien-2-yl]piperidin-4-amine
CID 143623116
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
CID 143792072
4-[(3E,5Z)-3-methoxyocta-1,3,5-trien-4-yl]piperidine
CID 144378253
4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine
CID 143115624

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine?
The IUPAC name of (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine (CID 143996935) is (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine.
What is the SMILES notation for (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine?
The canonical SMILES for (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine is C=C/C=C(C)\C(=C/C/C=C1\CCCNC1N)OC.
What is the InChIKey of (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine?
The InChIKey is JBILPSWYGZRTMN-JVQALEFTSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-7-12(2)14(18-3)10-5-8-13-9-6-11-17-15(13)16/h4,7-8,10,15,17H,1,5-6,9,11,16H2,2-3H3/b12-7-,13-8+,14-10+.
What are the key properties of (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine?
(3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3E,5Z)-4-methoxy-5-methylocta-3,5,7-trienylidene]piperidin-2-amine is sourced from PubChem (CID 143996935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).