4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine

C27H40N2 — CID 153383091

IUPAC4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=C(C)c1ccc(=C)/c(=C\N(C)C)c1.C=C/C(=C\C(C)=C(C)C)C1CCNCC1
InChIInChI=1S/C14H23N.C13H17N/c1-5-13(10-12(4)11(2)3)14-6-8-15-9-7-14;1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h5,10,14-15H,1,6-9H2,2-4H3;6-9H,1,3H2,2,4-5H3/b13-10+;13-9-
InChIKeyCKOLCMDTKAZSNV-JQHJLEALSA-N
MW392.63 g/mol
LogP4.88
Rot. Bonds5

About 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine

4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine (PubChem CID 153383091) has the molecular formula C27H40N2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine.

Molecular Properties

Compound Name4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine
PubChem CID153383091
Molecular FormulaC27H40N2
Molecular Weight392.63 g/mol
Exact Mass392.32
IUPAC Name4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine
SMILESC=C(C)c1ccc(=C)/c(=C\N(C)C)c1.C=C/C(=C\C(C)=C(C)C)C1CCNCC1
InChIInChI=1S/C14H23N.C13H17N/c1-5-13(10-12(4)11(2)3)14-6-8-15-9-7-14;1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h5,10,14-15H,1,6-9H2,2-4H3;6-9H,1,3H2,2,4-5H3/b13-10+;13-9-
InChIKeyCKOLCMDTKAZSNV-JQHJLEALSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine with MolForge

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
4-[(1E)-2-fluorobuta-1,3-dienyl]-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]dec-3-ene
CID 88900746
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
CID 156543123
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
CID 142816354
(1,5,9-Trimethyl-deca-4,8-dienyl)-[1-(1,5,9-trimethyl-deca-4,8-dienyl)-piperidin-4-ylmethyl]-amine
CID 6480616
4-Cyclohexa-1,5-dien-1-ylpiperidine
CID 17989464
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681
N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine
CID 70819880
1-(2-Cyclohexa-2,4-dien-1-ylethyl)piperazine
CID 73949193
N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
CID 88905238
(Z)-N-[4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-dien-1-yl]-N'-methylprop-1-ene-1,3-diamine
CID 89085359

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine?
The IUPAC name of 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine (CID 153383091) is 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine.
What is the SMILES notation for 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine?
The canonical SMILES for 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine is C=C(C)c1ccc(=C)/c(=C\N(C)C)c1.C=C/C(=C\C(C)=C(C)C)C1CCNCC1.
What is the InChIKey of 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine?
The InChIKey is CKOLCMDTKAZSNV-JQHJLEALSA-N. The full InChI is InChI=1S/C14H23N.C13H17N/c1-5-13(10-12(4)11(2)3)14-6-8-15-9-7-14;1-10(2)12-7-6-11(3)13(8-12)9-14(4)5/h5,10,14-15H,1,6-9H2,2-4H3;6-9H,1,3H2,2,4-5H3/b13-10+;13-9-.
What are the key properties of 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine?
4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine has a molecular weight of 392.63 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-5,6-dimethylhepta-1,3,5-trien-3-yl]piperidine;(1Z)-N,N-dimethyl-1-(6-methylidene-3-prop-1-en-2-ylcyclohexa-2,4-dien-1-ylidene)methanamine is sourced from PubChem (CID 153383091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).