(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine

C17H30N2 — CID 166778590

IUPAC(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine
SMILESC/C=C\C(=C/CC(=C(\CC)N(C)C)/C(C)=N/C)CC
InChIInChI=1S/C17H30N2/c1-8-11-15(9-2)12-13-16(14(4)18-5)17(10-3)19(6)7/h8,11-12H,9-10,13H2,1-7H3/b11-8-,15-12-,17-16-,18-14+
InChIKeyHRHMKQHTSUBQAU-RKKGAQRQSA-N
MW262.44 g/mol
LogP4.61
Rot. Bonds7

About (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine

(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine (PubChem CID 166778590) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine.

Molecular Properties

Compound Name(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine
PubChem CID166778590
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine
SMILESC/C=C\C(=C/CC(=C(\CC)N(C)C)/C(C)=N/C)CC
InChIInChI=1S/C17H30N2/c1-8-11-15(9-2)12-13-16(14(4)18-5)17(10-3)19(6)7/h8,11-12H,9-10,13H2,1-7H3/b11-8-,15-12-,17-16-,18-14+
InChIKeyHRHMKQHTSUBQAU-RKKGAQRQSA-N
XLogP4.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine?
The IUPAC name of (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine (CID 166778590) is (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine.
What is the SMILES notation for (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine?
The canonical SMILES for (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine is C/C=C\C(=C/CC(=C(\CC)N(C)C)/C(C)=N/C)CC.
What is the InChIKey of (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine?
The InChIKey is HRHMKQHTSUBQAU-RKKGAQRQSA-N. The full InChI is InChI=1S/C17H30N2/c1-8-11-15(9-2)12-13-16(14(4)18-5)17(10-3)19(6)7/h8,11-12H,9-10,13H2,1-7H3/b11-8-,15-12-,17-16-,18-14+.
What are the key properties of (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine?
(3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine has a molecular weight of 262.44 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8Z)-4-(C,N-dimethylcarbonimidoyl)-7-ethyl-N,N-dimethyldeca-3,6,8-trien-3-amine is sourced from PubChem (CID 166778590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).