3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine

C9H19N3 — CID 105259171

IUPAC3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine
SMILESCC#CCC(CCN(C)C)NN
InChIInChI=1S/C9H19N3/c1-4-5-6-9(11-10)7-8-12(2)3/h9,11H,6-8,10H2,1-3H3
InChIKeyCSPPYORIWCUNEG-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.18
Rot. Bonds5

About 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine

3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine (PubChem CID 105259171) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine.

Molecular Properties

Compound Name3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine
PubChem CID105259171
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine
SMILESCC#CCC(CCN(C)C)NN
InChIInChI=1S/C9H19N3/c1-4-5-6-9(11-10)7-8-12(2)3/h9,11H,6-8,10H2,1-3H3
InChIKeyCSPPYORIWCUNEG-UHFFFAOYSA-N
XLogP0.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

1-methylsulfanylhex-4-yn-2-ylhydrazine
CID 105213837
N,N,3-trimethyloct-6-yn-1-amine
CID 170193044
1-phenoxyhept-5-yn-3-ylhydrazine
CID 105191389
4-(2,6-dimethylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259278
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
1-propylsulfanylhex-4-yn-2-ylhydrazine
CID 105225669
4-(4-tert-butylphenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259266
3-hydrazinyl-N,N-dimethyl-4-(3-methylphenyl)butan-1-amine
CID 105259182
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272
4-(2,5-dimethylpyrazol-3-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259282
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine?
The IUPAC name of 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine (CID 105259171) is 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine.
What is the SMILES notation for 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine?
The canonical SMILES for 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine is CC#CCC(CCN(C)C)NN.
What is the InChIKey of 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine?
The InChIKey is CSPPYORIWCUNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-5-6-9(11-10)7-8-12(2)3/h9,11H,6-8,10H2,1-3H3.
What are the key properties of 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine?
3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N,N-dimethylhept-5-yn-1-amine is sourced from PubChem (CID 105259171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).