N-[2-(diethylamino)-4-methylpentyl]acetohydrazide

C12H27N3O — CID 163853487

IUPACN-[2-(diethylamino)-4-methylpentyl]acetohydrazide
SMILESCCN(CC)C(CC(C)C)CN(N)C(C)=O
InChIInChI=1S/C12H27N3O/c1-6-14(7-2)12(8-10(3)4)9-15(13)11(5)16/h10,12H,6-9,13H2,1-5H3
InChIKeyOWIUVNDBMGWGRL-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(diethylamino)-4-methylpentyl]acetohydrazide

N-[2-(diethylamino)-4-methylpentyl]acetohydrazide (PubChem CID 163853487) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylpentyl]acetohydrazide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylpentyl]acetohydrazide
PubChem CID163853487
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[2-(diethylamino)-4-methylpentyl]acetohydrazide
SMILESCCN(CC)C(CC(C)C)CN(N)C(C)=O
InChIInChI=1S/C12H27N3O/c1-6-14(7-2)12(8-10(3)4)9-15(13)11(5)16/h10,12H,6-9,13H2,1-5H3
InChIKeyOWIUVNDBMGWGRL-UHFFFAOYSA-N
XLogP1.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-N,2-N-diethyl-4-methylpentane-1,2-diamine
CID 51624582
4-amino-N-[2-(diethylamino)-4-methylpentyl]pentanamide
CID 120564481
(2S)-2-amino-N-[2-(diethylamino)-4-methylpentyl]butanamide;dihydrochloride
CID 119842280
3-[[acetyl(amino)amino]methyl]-5-methyloctanoic acid
CID 87609990
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
2-amino-N-[2-(diethylamino)-4-methylpentyl]-2-phenylpropanamide;dihydrochloride
CID 120595114
acetic acid;N,N-diethylbutan-2-amine;hydroiodide
CID 87971936
acetamide;N-ethyl-N-propan-2-ylpropan-2-amine
CID 158250626
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
2-amino-N-[3-(diethylamino)-5-methylhexyl]benzamide
CID 70551962
2-(diethylamino)-N-(2,6-dimethylheptan-4-yl)-N-methylacetamide
CID 4136908

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylpentyl]acetohydrazide?
The IUPAC name of N-[2-(diethylamino)-4-methylpentyl]acetohydrazide (CID 163853487) is N-[2-(diethylamino)-4-methylpentyl]acetohydrazide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylpentyl]acetohydrazide?
The canonical SMILES for N-[2-(diethylamino)-4-methylpentyl]acetohydrazide is CCN(CC)C(CC(C)C)CN(N)C(C)=O.
What is the InChIKey of N-[2-(diethylamino)-4-methylpentyl]acetohydrazide?
The InChIKey is OWIUVNDBMGWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-14(7-2)12(8-10(3)4)9-15(13)11(5)16/h10,12H,6-9,13H2,1-5H3.
What are the key properties of N-[2-(diethylamino)-4-methylpentyl]acetohydrazide?
N-[2-(diethylamino)-4-methylpentyl]acetohydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylpentyl]acetohydrazide is sourced from PubChem (CID 163853487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).