N',N'-dimethylhept-6-ynehydrazide

C9H16N2O — CID 163368546

IUPACN',N'-dimethylhept-6-ynehydrazide
SMILESC#CCCCCC(=O)NN(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h1H,5-8H2,2-3H3,(H,10,12)
InChIKeyPWMZAOJIMQIQBB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.77
Rot. Bonds5

About N',N'-dimethylhept-6-ynehydrazide

N',N'-dimethylhept-6-ynehydrazide (PubChem CID 163368546) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N',N'-dimethylhept-6-ynehydrazide.

Molecular Properties

Compound NameN',N'-dimethylhept-6-ynehydrazide
PubChem CID163368546
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN',N'-dimethylhept-6-ynehydrazide
SMILESC#CCCCCC(=O)NN(C)C
InChIInChI=1S/C9H16N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h1H,5-8H2,2-3H3,(H,10,12)
InChIKeyPWMZAOJIMQIQBB-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyloct-7-ynamide
CID 175792048
N-hydroxyhept-6-ynamide
CID 71623064
(E)-hexadec-3-en-15-yne-2,5-dione
CID 44613167
N-(2-hydroxy-2-methylbutyl)hept-6-ynamide
CID 103908911
N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
tetradec-13-ynamide
CID 19767571
heptadec-16-ynoic acid
CID 5312626
3-(hex-5-ynylamino)-N,N-dimethylpropanamide
CID 106211989
N-but-3-ynylhex-5-ynamide
CID 10630847
N-(2,5-dimethyl-1,2,4-triazol-3-yl)hept-6-ynamide
CID 86790800
N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
CID 103908751
undec-10-ynoyl chloride
CID 15389915

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylhept-6-ynehydrazide?
The IUPAC name of N',N'-dimethylhept-6-ynehydrazide (CID 163368546) is N',N'-dimethylhept-6-ynehydrazide.
What is the SMILES notation for N',N'-dimethylhept-6-ynehydrazide?
The canonical SMILES for N',N'-dimethylhept-6-ynehydrazide is C#CCCCCC(=O)NN(C)C.
What is the InChIKey of N',N'-dimethylhept-6-ynehydrazide?
The InChIKey is PWMZAOJIMQIQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-6-7-8-9(12)10-11(2)3/h1H,5-8H2,2-3H3,(H,10,12).
What are the key properties of N',N'-dimethylhept-6-ynehydrazide?
N',N'-dimethylhept-6-ynehydrazide has a molecular weight of 168.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylhept-6-ynehydrazide is sourced from PubChem (CID 163368546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).