N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide

C14H23N3O2 — CID 76952741

IUPACN-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
SMILESNC(CCNC(=O)C12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C14H23N3O2/c15-12(17-19)1-2-16-13(18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11,19H,1-8H2,(H2,15,17)(H,16,18)
InChIKeyWAISMRJNZHXWHE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.46
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide (PubChem CID 76952741) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
PubChem CID76952741
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
SMILESNC(CCNC(=O)C12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C14H23N3O2/c15-12(17-19)1-2-16-13(18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11,19H,1-8H2,(H2,15,17)(H,16,18)
InChIKeyWAISMRJNZHXWHE-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.46
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

(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
CID 76952901
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
7-(adamantane-1-carbonylamino)heptanoic acid
CID 71700197
N-(1-amino-1-hydroxyiminopentan-3-yl)adamantane-1-carboxamide
CID 76947751
(4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate
CID 8528544
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide (CID 76952741) is N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide is NC(CCNC(=O)C12CC3CC(CC(C3)C1)C2)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide?
The InChIKey is WAISMRJNZHXWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-12(17-19)1-2-16-13(18)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11,19H,1-8H2,(H2,15,17)(H,16,18).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide is sourced from PubChem (CID 76952741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).