(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine

C30H51FN2 — CID 134315682

IUPAC(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine
SMILESC/C=C(\N(C)C/C=C/C/C=C(F)\C=C\CC)N(C)CCC(CCC)/C(=C/C=C\CCC)CC
InChIInChI=1S/C30H51FN2/c1-8-13-15-17-21-27(11-4)28(20-10-3)24-26-33(7)30(12-5)32(6)25-19-16-18-23-29(31)22-14-9-2/h12,14-17,19,21-23,28H,8-11,13,18,20,24-26H2,1-7H3/b17-15-,19-16+,22-14+,27-21+,29-23+,30-12+
InChIKeyBCCQYSAUIQKSGY-UTXVWYBCSA-N
MW458.75 g/mol
LogP8.98
Rot. Bonds18

About (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine

(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine (PubChem CID 134315682) has the molecular formula C30H51FN2 and a molecular weight of 458.75 g/mol. Its IUPAC name is (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine
PubChem CID134315682
Molecular FormulaC30H51FN2
Molecular Weight458.75 g/mol
Exact Mass458.40
IUPAC Name(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine
SMILESC/C=C(\N(C)C/C=C/C/C=C(F)\C=C\CC)N(C)CCC(CCC)/C(=C/C=C\CCC)CC
InChIInChI=1S/C30H51FN2/c1-8-13-15-17-21-27(11-4)28(20-10-3)24-26-33(7)30(12-5)32(6)25-19-16-18-23-29(31)22-14-9-2/h12,14-17,19,21-23,28H,8-11,13,18,20,24-26H2,1-7H3/b17-15-,19-16+,22-14+,27-21+,29-23+,30-12+
InChIKeyBCCQYSAUIQKSGY-UTXVWYBCSA-N
XLogP8.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.75
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine with MolForge

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Related Compounds

1-N'-[(E,10Z)-6-ethyl-8,8,11,13,14-pentamethyl-10-(3-methylbutan-2-ylidene)pentadec-5-en-5-yl]-1-N-[[5-(2-fluoropropan-2-yl)cyclohepta-1,4,6-trien-1-yl]methyl]-1-N-methyl-1-N'-propylethene-1,1-diamine
CID 134256209
1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole
CID 139523372

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine?
The IUPAC name of (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine (CID 134315682) is (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine.
What is the SMILES notation for (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine?
The canonical SMILES for (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine is C/C=C(\N(C)C/C=C/C/C=C(F)\C=C\CC)N(C)CCC(CCC)/C(=C/C=C\CCC)CC.
What is the InChIKey of (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine?
The InChIKey is BCCQYSAUIQKSGY-UTXVWYBCSA-N. The full InChI is InChI=1S/C30H51FN2/c1-8-13-15-17-21-27(11-4)28(20-10-3)24-26-33(7)30(12-5)32(6)25-19-16-18-23-29(31)22-14-9-2/h12,14-17,19,21-23,28H,8-11,13,18,20,24-26H2,1-7H3/b17-15-,19-16+,22-14+,27-21+,29-23+,30-12+.
What are the key properties of (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine?
(Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine has a molecular weight of 458.75 g/mol, XLogP of 8.98, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[(4E,6Z)-4-ethyl-3-propyldeca-4,6-dienyl]-1-N'-[(2E,5E,7E)-6-fluorodeca-2,5,7-trienyl]-1-N,1-N'-dimethylprop-1-ene-1,1-diamine is sourced from PubChem (CID 134315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).