3,7-dihydrazinylheptan-2-one

C7H18N4O — CID 163985535

IUPAC3,7-dihydrazinylheptan-2-one
SMILESCC(=O)C(CCCCNN)NN
InChIInChI=1S/C7H18N4O/c1-6(12)7(11-9)4-2-3-5-10-8/h7,10-11H,2-5,8-9H2,1H3
InChIKeyTVYVOLHUFNNMFA-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.96
Rot. Bonds7

About 3,7-dihydrazinylheptan-2-one

3,7-dihydrazinylheptan-2-one (PubChem CID 163985535) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,7-dihydrazinylheptan-2-one.

Molecular Properties

Compound Name3,7-dihydrazinylheptan-2-one
PubChem CID163985535
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name3,7-dihydrazinylheptan-2-one
SMILESCC(=O)C(CCCCNN)NN
InChIInChI=1S/C7H18N4O/c1-6(12)7(11-9)4-2-3-5-10-8/h7,10-11H,2-5,8-9H2,1H3
InChIKeyTVYVOLHUFNNMFA-UHFFFAOYSA-N
XLogP-0.96
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydrazinyl-6-(methylamino)hexan-2-one
CID 155029224
ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
CID 145050521
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
CID 153350102
CID 153350102
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
3,7-bis(ethylamino)heptan-2-one
CID 143994128
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
(2S)-2-hydrazinylheptanoic acid
CID 118266927
(2S)-2-amino-5-[2-[2-[2-[2-[2-[2-[[(5S)-5-hydrazinyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 142518789

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydrazinylheptan-2-one?
The IUPAC name of 3,7-dihydrazinylheptan-2-one (CID 163985535) is 3,7-dihydrazinylheptan-2-one.
What is the SMILES notation for 3,7-dihydrazinylheptan-2-one?
The canonical SMILES for 3,7-dihydrazinylheptan-2-one is CC(=O)C(CCCCNN)NN.
What is the InChIKey of 3,7-dihydrazinylheptan-2-one?
The InChIKey is TVYVOLHUFNNMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-6(12)7(11-9)4-2-3-5-10-8/h7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 3,7-dihydrazinylheptan-2-one?
3,7-dihydrazinylheptan-2-one has a molecular weight of 174.25 g/mol, XLogP of -0.96, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydrazinylheptan-2-one is sourced from PubChem (CID 163985535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).