adamantane-1,3-dicarbohydrazide

C12H20N4O2 — CID 122207012

IUPACadamantane-1,3-dicarbohydrazide
SMILESNNC(=O)C12CC3CC(C1)CC(C(=O)NN)(C3)C2
InChIInChI=1S/C12H20N4O2/c13-15-9(17)11-2-7-1-8(4-11)5-12(3-7,6-11)10(18)16-14/h7-8H,1-6,13-14H2,(H,15,17)(H,16,18)
InChIKeyHKXKSGCXHLYMKJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.45
Rot. Bonds2

About adamantane-1,3-dicarbohydrazide

adamantane-1,3-dicarbohydrazide (PubChem CID 122207012) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is adamantane-1,3-dicarbohydrazide.

Molecular Properties

Compound Nameadamantane-1,3-dicarbohydrazide
PubChem CID122207012
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameadamantane-1,3-dicarbohydrazide
SMILESNNC(=O)C12CC3CC(C1)CC(C(=O)NN)(C3)C2
InChIInChI=1S/C12H20N4O2/c13-15-9(17)11-2-7-1-8(4-11)5-12(3-7,6-11)10(18)16-14/h7-8H,1-6,13-14H2,(H,15,17)(H,16,18)
InChIKeyHKXKSGCXHLYMKJ-UHFFFAOYSA-N
XLogP-0.45
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
CID 24721604
5,7-dimethyladamantane-1,3-dicarbohydrazide
CID 4171850
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 7090487
(5S,7R)-N-(1-adamantyl)-3-bromoadamantane-1-carboxamide
CID 7732542
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753
methyl (5R,7R)-3-aminoadamantane-1-carboxylate
CID 23309146
adamantane-1-carboxamide
CID 21686
3-aminoadamantane-1-carboxamide
CID 67083536
(5R,7R)-3-acetyladamantane-1-carboxylic acid
CID 98051477
1-N,3-N,5-N-trimethyladamantane-1,3,5-tricarboxamide
CID 177137615
3-bromo-N',N'-dimethyladamantane-1-carbohydrazide
CID 5120362
bis[2-(dimethylamino)ethyl] adamantane-1,3-dicarboxylate dichloride
CID 21205610

Frequently Asked Questions

What is the IUPAC name of adamantane-1,3-dicarbohydrazide?
The IUPAC name of adamantane-1,3-dicarbohydrazide (CID 122207012) is adamantane-1,3-dicarbohydrazide.
What is the SMILES notation for adamantane-1,3-dicarbohydrazide?
The canonical SMILES for adamantane-1,3-dicarbohydrazide is NNC(=O)C12CC3CC(C1)CC(C(=O)NN)(C3)C2.
What is the InChIKey of adamantane-1,3-dicarbohydrazide?
The InChIKey is HKXKSGCXHLYMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-15-9(17)11-2-7-1-8(4-11)5-12(3-7,6-11)10(18)16-14/h7-8H,1-6,13-14H2,(H,15,17)(H,16,18).
What are the key properties of adamantane-1,3-dicarbohydrazide?
adamantane-1,3-dicarbohydrazide has a molecular weight of 252.32 g/mol, XLogP of -0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1,3-dicarbohydrazide is sourced from PubChem (CID 122207012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).