1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine

C8H18N2 — CID 89402494

IUPAC1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine
SMILESC/C=C/CC[C@H](C)NNC
InChIInChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+/t8-/m0/s1
InChIKeyDOWOCTPCNSHTAT-ZJELKQJVSA-N
MW142.25 g/mol
LogP1.46
Rot. Bonds5

About 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine

1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine (PubChem CID 89402494) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine
PubChem CID89402494
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine
SMILESC/C=C/CC[C@H](C)NNC
InChIInChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+/t8-/m0/s1
InChIKeyDOWOCTPCNSHTAT-ZJELKQJVSA-N
XLogP1.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine?
The IUPAC name of 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine (CID 89402494) is 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine?
The canonical SMILES for 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine is C/C=C/CC[C@H](C)NNC.
What is the InChIKey of 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine?
The InChIKey is DOWOCTPCNSHTAT-ZJELKQJVSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-7-8(2)10-9-3/h4-5,8-10H,6-7H2,1-3H3/b5-4+/t8-/m0/s1.
What are the key properties of 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine?
1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine has a molecular weight of 142.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,2S)-hept-5-en-2-yl]-2-methylhydrazine is sourced from PubChem (CID 89402494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).