3-hydrazinyl-6-(methylamino)hexan-2-one

C7H17N3O — CID 155029224

IUPAC3-hydrazinyl-6-(methylamino)hexan-2-one
SMILESCNCCCC(NN)C(C)=O
InChIInChI=1S/C7H17N3O/c1-6(11)7(10-8)4-3-5-9-2/h7,9-10H,3-5,8H2,1-2H3
InChIKeyPOVXPOMXEIFTGW-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.59
Rot. Bonds6

About 3-hydrazinyl-6-(methylamino)hexan-2-one

3-hydrazinyl-6-(methylamino)hexan-2-one (PubChem CID 155029224) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-hydrazinyl-6-(methylamino)hexan-2-one.

Molecular Properties

Compound Name3-hydrazinyl-6-(methylamino)hexan-2-one
PubChem CID155029224
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-hydrazinyl-6-(methylamino)hexan-2-one
SMILESCNCCCC(NN)C(C)=O
InChIInChI=1S/C7H17N3O/c1-6(11)7(10-8)4-3-5-9-2/h7,9-10H,3-5,8H2,1-2H3
InChIKeyPOVXPOMXEIFTGW-UHFFFAOYSA-N
XLogP-0.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3,7-dihydrazinylheptan-2-one
CID 163985535
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
CID 145050521
4-hydrazinyl-5-oxohexanoic acid
CID 88944319
(3R)-3-(hydroxymethyl)-6-(methylamino)hexan-2-one
CID 59862123
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
(2S)-2,5-bis(methylamino)-N-[2-(methylamino)ethyl]pentanamide
CID 59831421
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
CID 90364828
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-6-(methylamino)hexan-2-one?
The IUPAC name of 3-hydrazinyl-6-(methylamino)hexan-2-one (CID 155029224) is 3-hydrazinyl-6-(methylamino)hexan-2-one.
What is the SMILES notation for 3-hydrazinyl-6-(methylamino)hexan-2-one?
The canonical SMILES for 3-hydrazinyl-6-(methylamino)hexan-2-one is CNCCCC(NN)C(C)=O.
What is the InChIKey of 3-hydrazinyl-6-(methylamino)hexan-2-one?
The InChIKey is POVXPOMXEIFTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(11)7(10-8)4-3-5-9-2/h7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 3-hydrazinyl-6-(methylamino)hexan-2-one?
3-hydrazinyl-6-(methylamino)hexan-2-one has a molecular weight of 159.23 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-6-(methylamino)hexan-2-one is sourced from PubChem (CID 155029224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).