N-(3-aminopropyl)-2-(hydroxyamino)heptanamide

C10H23N3O2 — CID 142081006

IUPACN-(3-aminopropyl)-2-(hydroxyamino)heptanamide
SMILESCCCCCC(NO)C(=O)NCCCN
InChIInChI=1S/C10H23N3O2/c1-2-3-4-6-9(13-15)10(14)12-8-5-7-11/h9,13,15H,2-8,11H2,1H3,(H,12,14)
InChIKeyAVCISQIWQXZZIQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.38
Rot. Bonds9

About N-(3-aminopropyl)-2-(hydroxyamino)heptanamide

N-(3-aminopropyl)-2-(hydroxyamino)heptanamide (PubChem CID 142081006) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(hydroxyamino)heptanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(hydroxyamino)heptanamide
PubChem CID142081006
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN-(3-aminopropyl)-2-(hydroxyamino)heptanamide
SMILESCCCCCC(NO)C(=O)NCCCN
InChIInChI=1S/C10H23N3O2/c1-2-3-4-6-9(13-15)10(14)12-8-5-7-11/h9,13,15H,2-8,11H2,1H3,(H,12,14)
InChIKeyAVCISQIWQXZZIQ-UHFFFAOYSA-N
XLogP0.38
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-pentylpentanamide
CID 104683456
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-hexadecylpropanediamide
CID 102434558
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-tetradecylpropanediamide
CID 102434564
hexadecyl N-[(2S)-6-amino-1-(octylamino)-1-oxohexan-2-yl]carbamate
CID 135363859
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
2-methyl-N-nonyldecanamide
CID 141429494
3-aminopropyl N-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamate
CID 89258604

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(hydroxyamino)heptanamide?
The IUPAC name of N-(3-aminopropyl)-2-(hydroxyamino)heptanamide (CID 142081006) is N-(3-aminopropyl)-2-(hydroxyamino)heptanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(hydroxyamino)heptanamide?
The canonical SMILES for N-(3-aminopropyl)-2-(hydroxyamino)heptanamide is CCCCCC(NO)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(hydroxyamino)heptanamide?
The InChIKey is AVCISQIWQXZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-3-4-6-9(13-15)10(14)12-8-5-7-11/h9,13,15H,2-8,11H2,1H3,(H,12,14).
What are the key properties of N-(3-aminopropyl)-2-(hydroxyamino)heptanamide?
N-(3-aminopropyl)-2-(hydroxyamino)heptanamide has a molecular weight of 217.31 g/mol, XLogP of 0.38, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(hydroxyamino)heptanamide is sourced from PubChem (CID 142081006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).