N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine

C9H17N3 — CID 88991335

IUPACN-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
SMILESC/C=C\C(=C/CC)\N=N\N(C)C
InChIInChI=1S/C9H17N3/c1-5-7-9(8-6-2)10-11-12(3)4/h5,7-8H,6H2,1-4H3/b7-5-,9-8+,11-10+
InChIKeyGOEYHUCJXCIOHD-HSGWOOLRSA-N
MW167.26 g/mol
LogP2.79
Rot. Bonds4

About N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine

N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine (PubChem CID 88991335) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
PubChem CID88991335
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine
SMILESC/C=C\C(=C/CC)\N=N\N(C)C
InChIInChI=1S/C9H17N3/c1-5-7-9(8-6-2)10-11-12(3)4/h5,7-8H,6H2,1-4H3/b7-5-,9-8+,11-10+
InChIKeyGOEYHUCJXCIOHD-HSGWOOLRSA-N
XLogP2.79
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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 N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine?
The IUPAC name of N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine (CID 88991335) is N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine.
What is the SMILES notation for N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine?
The canonical SMILES for N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine is C/C=C\C(=C/CC)\N=N\N(C)C.
What is the InChIKey of N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine?
The InChIKey is GOEYHUCJXCIOHD-HSGWOOLRSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-7-9(8-6-2)10-11-12(3)4/h5,7-8H,6H2,1-4H3/b7-5-,9-8+,11-10+.
What are the key properties of N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine?
N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine has a molecular weight of 167.26 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2Z,4E)-hepta-2,4-dien-4-yl]diazenyl]-N-methylmethanamine is sourced from PubChem (CID 88991335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).