N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide

C16H27N3O2 — CID 76947751

IUPACN-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c1-2-13(6-14(17)19-21)18-15(20)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-13,21H,2-9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyUDCSQPPBCDTFCK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide

N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide (PubChem CID 76947751) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
PubChem CID76947751
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
SMILESCCC(CC(N)=NO)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c1-2-13(6-14(17)19-21)18-15(20)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-13,21H,2-9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyUDCSQPPBCDTFCK-UHFFFAOYSA-N
XLogP2.23
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-(1-aminobutan-2-yl)adamantane-1-carboxamide
CID 63754089
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
N-[(3S)-3-(adamantane-1-carbonylamino)pentyl]adamantane-1-carboxamide
CID 7418135
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
CID 76952901
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
CID 76953621
3-(cyclopropylamino)-N'-hydroxypentanimidamide
CID 77026260
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-ethylhexanamide
CID 76947816
N-(1-amino-1-hydroxyiminopentan-3-yl)decanamide
CID 77069122

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide (CID 76947751) is N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide is CCC(CC(N)=NO)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide?
The InChIKey is UDCSQPPBCDTFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-13(6-14(17)19-21)18-15(20)16-7-10-3-11(8-16)5-12(4-10)9-16/h10-13,21H,2-9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide?
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 76947751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).