N',N'-dimethylhept-6-enehydrazide

C9H18N2O — CID 163368543

IUPACN',N'-dimethylhept-6-enehydrazide
SMILESC=CCCCCC(=O)NN(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyIVPDMMNKOKEPGR-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.33
Rot. Bonds6

About N',N'-dimethylhept-6-enehydrazide

N',N'-dimethylhept-6-enehydrazide (PubChem CID 163368543) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N',N'-dimethylhept-6-enehydrazide.

Molecular Properties

Compound NameN',N'-dimethylhept-6-enehydrazide
PubChem CID163368543
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN',N'-dimethylhept-6-enehydrazide
SMILESC=CCCCCC(=O)NN(C)C
InChIInChI=1S/C9H18N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12)
InChIKeyIVPDMMNKOKEPGR-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N',N'-dimethylhept-6-enehydrazide?
The IUPAC name of N',N'-dimethylhept-6-enehydrazide (CID 163368543) is N',N'-dimethylhept-6-enehydrazide.
What is the SMILES notation for N',N'-dimethylhept-6-enehydrazide?
The canonical SMILES for N',N'-dimethylhept-6-enehydrazide is C=CCCCCC(=O)NN(C)C.
What is the InChIKey of N',N'-dimethylhept-6-enehydrazide?
The InChIKey is IVPDMMNKOKEPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h4H,1,5-8H2,2-3H3,(H,10,12).
What are the key properties of N',N'-dimethylhept-6-enehydrazide?
N',N'-dimethylhept-6-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylhept-6-enehydrazide is sourced from PubChem (CID 163368543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).