(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine

C7H16N4 — CID 59901714

IUPAC(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine
SMILES[H]/N=N/N=C(\C)C(C)C[C@H](C)N
InChIInChI=1S/C7H16N4/c1-5(4-6(2)8)7(3)10-11-9/h5-6,9H,4,8H2,1-3H3/b10-7+,11-9+/t5?,6-/m0/s1
InChIKeyOZPBTQBIIZXSAG-MLWZORBZSA-N
MW156.23 g/mol
LogP1.77
Rot. Bonds4

About (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine

(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine (PubChem CID 59901714) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine.

Molecular Properties

Compound Name(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine
PubChem CID59901714
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine
SMILES[H]/N=N/N=C(\C)C(C)C[C@H](C)N
InChIInChI=1S/C7H16N4/c1-5(4-6(2)8)7(3)10-11-9/h5-6,9H,4,8H2,1-3H3/b10-7+,11-9+/t5?,6-/m0/s1
InChIKeyOZPBTQBIIZXSAG-MLWZORBZSA-N
XLogP1.77
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine?
The IUPAC name of (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine (CID 59901714) is (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine.
What is the SMILES notation for (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine?
The canonical SMILES for (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine is [H]/N=N/N=C(\C)C(C)C[C@H](C)N.
What is the InChIKey of (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine?
The InChIKey is OZPBTQBIIZXSAG-MLWZORBZSA-N. The full InChI is InChI=1S/C7H16N4/c1-5(4-6(2)8)7(3)10-11-9/h5-6,9H,4,8H2,1-3H3/b10-7+,11-9+/t5?,6-/m0/s1.
What are the key properties of (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine?
(2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine has a molecular weight of 156.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5E)-5-(iminohydrazinylidene)-4-methylhexan-2-amine is sourced from PubChem (CID 59901714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).