(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine

C17H31N3 — CID 134268239

IUPAC(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine
SMILESC/C=C(C)\C(C)=C\C=C(/C)N/C=C(\NN)C(C)CCC
InChIInChI=1S/C17H31N3/c1-7-9-15(5)17(20-18)12-19-16(6)11-10-14(4)13(3)8-2/h8,10-12,15,19-20H,7,9,18H2,1-6H3/b13-8-,14-10+,16-11+,17-12-
InChIKeyMAFBGPSAZSNLEV-IEXHLLBESA-N
MW277.46 g/mol
LogP4.13
Rot. Bonds8

About (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine

(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine (PubChem CID 134268239) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine
PubChem CID134268239
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine
SMILESC/C=C(C)\C(C)=C\C=C(/C)N/C=C(\NN)C(C)CCC
InChIInChI=1S/C17H31N3/c1-7-9-15(5)17(20-18)12-19-16(6)11-10-14(4)13(3)8-2/h8,10-12,15,19-20H,7,9,18H2,1-6H3/b13-8-,14-10+,16-11+,17-12-
InChIKeyMAFBGPSAZSNLEV-IEXHLLBESA-N
XLogP4.13
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine (CID 134268239) is (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine is C/C=C(C)\C(C)=C\C=C(/C)N/C=C(\NN)C(C)CCC.
What is the InChIKey of (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine?
The InChIKey is MAFBGPSAZSNLEV-IEXHLLBESA-N. The full InChI is InChI=1S/C17H31N3/c1-7-9-15(5)17(20-18)12-19-16(6)11-10-14(4)13(3)8-2/h8,10-12,15,19-20H,7,9,18H2,1-6H3/b13-8-,14-10+,16-11+,17-12-.
What are the key properties of (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine?
(2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-N-[(Z)-2-hydrazinyl-3-methylhex-1-enyl]-5,6-dimethylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 134268239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).