4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine

C22H34N4 — CID 134225008

IUPAC4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine
SMILESC=CCN(C/C=C\C=C/C(C)C(C)(C)C(=C)CC)c1nc(C)nc(C)n1
InChIInChI=1S/C22H34N4/c1-9-15-26(21-24-19(5)23-20(6)25-21)16-13-11-12-14-18(4)22(7,8)17(3)10-2/h9,11-14,18H,1,3,10,15-16H2,2,4-8H3/b13-11-,14-12-
InChIKeyCGNHIRKIVOENJZ-XSYHWHKQSA-N
MW354.54 g/mol
LogP5.22
Rot. Bonds10

About 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine

4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine (PubChem CID 134225008) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine
PubChem CID134225008
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine
SMILESC=CCN(C/C=C\C=C/C(C)C(C)(C)C(=C)CC)c1nc(C)nc(C)n1
InChIInChI=1S/C22H34N4/c1-9-15-26(21-24-19(5)23-20(6)25-21)16-13-11-12-14-18(4)22(7,8)17(3)10-2/h9,11-14,18H,1,3,10,15-16H2,2,4-8H3/b13-11-,14-12-
InChIKeyCGNHIRKIVOENJZ-XSYHWHKQSA-N
XLogP5.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine (CID 134225008) is 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine is C=CCN(C/C=C\C=C/C(C)C(C)(C)C(=C)CC)c1nc(C)nc(C)n1.
What is the InChIKey of 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine?
The InChIKey is CGNHIRKIVOENJZ-XSYHWHKQSA-N. The full InChI is InChI=1S/C22H34N4/c1-9-15-26(21-24-19(5)23-20(6)25-21)16-13-11-12-14-18(4)22(7,8)17(3)10-2/h9,11-14,18H,1,3,10,15-16H2,2,4-8H3/b13-11-,14-12-.
What are the key properties of 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine?
4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine has a molecular weight of 354.54 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-prop-2-enyl-N-[(2Z,4Z)-6,7,7-trimethyl-8-methylidenedeca-2,4-dienyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 134225008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).