N'-benzyladamantane-1-carboximidamide

C18H24N2 — CID 18373602

IUPACN'-benzyladamantane-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2/c19-17(20-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20)
InChIKeyKEIKCTRIRNHLQF-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.76
Rot. Bonds3

About N'-benzyladamantane-1-carboximidamide

N'-benzyladamantane-1-carboximidamide (PubChem CID 18373602) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-benzyladamantane-1-carboximidamide.

Molecular Properties

Compound NameN'-benzyladamantane-1-carboximidamide
PubChem CID18373602
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-benzyladamantane-1-carboximidamide
SMILESN/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24N2/c19-17(20-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20)
InChIKeyKEIKCTRIRNHLQF-UHFFFAOYSA-N
XLogP3.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-benzyladamantane-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[C-(1-adamantyl)-N-benzylcarbonimidoyl]benzamide
CID 101138736
methyl N-(1-adamantyl)-N'-benzylcarbamimidothioate
CID 146341779
adamantane-1-carboxylic acid;benzamide
CID 175381809
bis(adamantane-1-carboxylic acid);iodobenzene
CID 175091348
N'-benzyl-2-hydroxyethanimidamide
CID 90668671
[(2S)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 9322762
N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 48735749
1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
CID 139541808
methyl (2S)-2-(adamantane-1-carbonylamino)-3-phenylpropanoate
CID 7116346
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
N-(2-phenylmethoxyphenyl)adamantane-1-carboxamide
CID 10784818
2-benzyl-1-iodoguanidine;sulfuric acid
CID 88653570

Frequently Asked Questions

What is the IUPAC name of N'-benzyladamantane-1-carboximidamide?
The IUPAC name of N'-benzyladamantane-1-carboximidamide (CID 18373602) is N'-benzyladamantane-1-carboximidamide.
What is the SMILES notation for N'-benzyladamantane-1-carboximidamide?
The canonical SMILES for N'-benzyladamantane-1-carboximidamide is N/C(=N\Cc1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-benzyladamantane-1-carboximidamide?
The InChIKey is KEIKCTRIRNHLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c19-17(20-12-13-4-2-1-3-5-13)18-9-14-6-15(10-18)8-16(7-14)11-18/h1-5,14-16H,6-12H2,(H2,19,20).
What are the key properties of N'-benzyladamantane-1-carboximidamide?
N'-benzyladamantane-1-carboximidamide has a molecular weight of 268.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyladamantane-1-carboximidamide is sourced from PubChem (CID 18373602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).