(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine

C14H25N3 — CID 130220595

IUPAC(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine
SMILESCC(C)=CCN(C)C/C=C\C=C(N)/C=C(\C)N
InChIInChI=1S/C14H25N3/c1-12(2)8-10-17(4)9-6-5-7-14(16)11-13(3)15/h5-8,11H,9-10,15-16H2,1-4H3/b6-5-,13-11+,14-7+
InChIKeyYUQPLQQLVZNTCP-ZYPOFCSWSA-N
MW235.37 g/mol
LogP2.15
Rot. Bonds6

About (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine

(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine (PubChem CID 130220595) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine.

Molecular Properties

Compound Name(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine
PubChem CID130220595
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine
SMILESCC(C)=CCN(C)C/C=C\C=C(N)/C=C(\C)N
InChIInChI=1S/C14H25N3/c1-12(2)8-10-17(4)9-6-5-7-14(16)11-13(3)15/h5-8,11H,9-10,15-16H2,1-4H3/b6-5-,13-11+,14-7+
InChIKeyYUQPLQQLVZNTCP-ZYPOFCSWSA-N
XLogP2.15
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-1-N-[2-(ethylamino)ethyl]-1-N-methylhexa-2,4-diene-1,5-diamine
CID 134406221
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
CID 145357021
N-(2-chloropropyl)-N,3-dimethylbut-2-en-1-amine
CID 107900993
2-methyl-5-[methyl(octa-2,4-dienyl)amino]pent-2-enamide
CID 141256593
1-methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780057
N-(3-bromobutyl)-N,3-dimethylbut-2-en-1-amine
CID 107901221
(4E,6E,8E)-9-methyltrideca-4,6,8-trien-7-amine
CID 143649845
N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
(2E)-N-ethyl-N,4-dimethylpenta-2,4-dien-1-amine
CID 166796239
N-methyl-N-(3-methylbut-2-enyl)cyclobutanamine
CID 126994828

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The IUPAC name of (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine (CID 130220595) is (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine.
What is the SMILES notation for (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The canonical SMILES for (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine is CC(C)=CCN(C)C/C=C\C=C(N)/C=C(\C)N.
What is the InChIKey of (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
The InChIKey is YUQPLQQLVZNTCP-ZYPOFCSWSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)8-10-17(4)9-6-5-7-14(16)11-13(3)15/h5-8,11H,9-10,15-16H2,1-4H3/b6-5-,13-11+,14-7+.
What are the key properties of (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine?
(2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine has a molecular weight of 235.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-1-N-methyl-1-N-(3-methylbut-2-enyl)octa-2,4,6-triene-1,5,7-triamine is sourced from PubChem (CID 130220595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).