N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide

C12H27N3O — CID 159436243

IUPACN-(5-hydrazinylpentyl)-3,4-dimethylpentanamide
SMILESCC(C)C(C)CC(=O)NCCCCCNN
InChIInChI=1S/C12H27N3O/c1-10(2)11(3)9-12(16)14-7-5-4-6-8-15-13/h10-11,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyVLAOYJPHJCKDPE-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.42
Rot. Bonds9

About N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide

N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide (PubChem CID 159436243) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(5-hydrazinylpentyl)-3,4-dimethylpentanamide
PubChem CID159436243
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-(5-hydrazinylpentyl)-3,4-dimethylpentanamide
SMILESCC(C)C(C)CC(=O)NCCCCCNN
InChIInChI=1S/C12H27N3O/c1-10(2)11(3)9-12(16)14-7-5-4-6-8-15-13/h10-11,15H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyVLAOYJPHJCKDPE-UHFFFAOYSA-N
XLogP1.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3,4-dimethyl-N-propylpentanamide
CID 89425193
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-amino-N-(5-hydroxypentyl)-4-methylpentanamide
CID 107317604
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
3-(ethylamino)-N-(5-hydroxypentyl)butanamide
CID 107317725
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
(5S)-N-(7-amino-7-oxoheptyl)-3-methoxy-4,5-dimethylheptanamide
CID 163255331
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
8-(5-aminopentylamino)-4,4,5,5-tetramethyl-8-oxo-3,6-di(propan-2-yl)octanoic acid
CID 58807800
3,4-dimethyl-N-propan-2-ylpentanamide
CID 153056975

Frequently Asked Questions

What is the IUPAC name of N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide?
The IUPAC name of N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide (CID 159436243) is N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide.
What is the SMILES notation for N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide?
The canonical SMILES for N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide is CC(C)C(C)CC(=O)NCCCCCNN.
What is the InChIKey of N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide?
The InChIKey is VLAOYJPHJCKDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(2)11(3)9-12(16)14-7-5-4-6-8-15-13/h10-11,15H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide?
N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide has a molecular weight of 229.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydrazinylpentyl)-3,4-dimethylpentanamide is sourced from PubChem (CID 159436243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).