N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide

C11H23N3O2 — CID 71395833

IUPACN-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
SMILESCCCCCCNCCCNC(=O)C=NO
InChIInChI=1S/C11H23N3O2/c1-2-3-4-5-7-12-8-6-9-13-11(15)10-14-16/h10,12,16H,2-9H2,1H3,(H,13,15)
InChIKeyBJTPBUOHHXYWBZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.12
Rot. Bonds10

About N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide

N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide (PubChem CID 71395833) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound NameN-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
PubChem CID71395833
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
SMILESCCCCCCNCCCNC(=O)C=NO
InChIInChI=1S/C11H23N3O2/c1-2-3-4-5-7-12-8-6-9-13-11(15)10-14-16/h10,12,16H,2-9H2,1H3,(H,13,15)
InChIKeyBJTPBUOHHXYWBZ-UHFFFAOYSA-N
XLogP1.12
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
N-[3-(hexylamino)propyl]prop-2-enamide
CID 87503959
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
CID 6408182
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[5-[5-(hexylamino)pentylamino]pentyl]acetamide
CID 58435545
(E)-N-hexyl-3-hydroxybut-2-enamide
CID 144650369
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide?
The IUPAC name of N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide (CID 71395833) is N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide is CCCCCCNCCCNC(=O)C=NO.
What is the InChIKey of N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide?
The InChIKey is BJTPBUOHHXYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-3-4-5-7-12-8-6-9-13-11(15)10-14-16/h10,12,16H,2-9H2,1H3,(H,13,15).
What are the key properties of N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide?
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide has a molecular weight of 229.32 g/mol, XLogP of 1.12, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 71395833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).