3-amino-6-(hydrazinylmethylamino)hexan-2-one

C7H18N4O — CID 155176532

IUPAC3-amino-6-(hydrazinylmethylamino)hexan-2-one
SMILESCC(=O)C(N)CCCNCNN
InChIInChI=1S/C7H18N4O/c1-6(12)7(8)3-2-4-10-5-11-9/h7,10-11H,2-5,8-9H2,1H3
InChIKeyIIBSOIQTLDAOGF-UHFFFAOYSA-N
MW174.25 g/mol
LogP-1.31
Rot. Bonds7

About 3-amino-6-(hydrazinylmethylamino)hexan-2-one

3-amino-6-(hydrazinylmethylamino)hexan-2-one (PubChem CID 155176532) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-amino-6-(hydrazinylmethylamino)hexan-2-one.

Molecular Properties

Compound Name3-amino-6-(hydrazinylmethylamino)hexan-2-one
PubChem CID155176532
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name3-amino-6-(hydrazinylmethylamino)hexan-2-one
SMILESCC(=O)C(N)CCCNCNN
InChIInChI=1S/C7H18N4O/c1-6(12)7(8)3-2-4-10-5-11-9/h7,10-11H,2-5,8-9H2,1H3
InChIKeyIIBSOIQTLDAOGF-UHFFFAOYSA-N
XLogP-1.31
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 ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-amino-7-(2-oxopropylamino)heptan-2-one
CID 123521063
(3R)-3-amino-5-(methylamino)pentan-2-one
CID 88569461
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
1-[4-[[(4S)-4-amino-5-oxohexyl]amino]-3-oxobutyl]pyrrole-2,5-dione
CID 121290189
N-(5-amino-6-oxoheptyl)-3-sulfanylpropanamide
CID 160622179
3-aminooctan-2-one;hydrochloride
CID 13478908
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
3-amino-7-(iodoiodanuidylamino)heptan-2-one
CID 176943999

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(hydrazinylmethylamino)hexan-2-one?
The IUPAC name of 3-amino-6-(hydrazinylmethylamino)hexan-2-one (CID 155176532) is 3-amino-6-(hydrazinylmethylamino)hexan-2-one.
What is the SMILES notation for 3-amino-6-(hydrazinylmethylamino)hexan-2-one?
The canonical SMILES for 3-amino-6-(hydrazinylmethylamino)hexan-2-one is CC(=O)C(N)CCCNCNN.
What is the InChIKey of 3-amino-6-(hydrazinylmethylamino)hexan-2-one?
The InChIKey is IIBSOIQTLDAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-6(12)7(8)3-2-4-10-5-11-9/h7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 3-amino-6-(hydrazinylmethylamino)hexan-2-one?
3-amino-6-(hydrazinylmethylamino)hexan-2-one has a molecular weight of 174.25 g/mol, XLogP of -1.31, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(hydrazinylmethylamino)hexan-2-one is sourced from PubChem (CID 155176532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).