2-(1-adamantyl)-1-carbamimidoylguanidine

C12H21N5 — CID 176519857

IUPAC2-(1-adamantyl)-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N5/c13-10(14)16-11(15)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H6,13,14,15,16,17)
InChIKeyDZFJHDNHQUMWMX-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.75
Rot. Bonds1

About 2-(1-adamantyl)-1-carbamimidoylguanidine

2-(1-adamantyl)-1-carbamimidoylguanidine (PubChem CID 176519857) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-carbamimidoylguanidine.

Molecular Properties

Compound Name2-(1-adamantyl)-1-carbamimidoylguanidine
PubChem CID176519857
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(1-adamantyl)-1-carbamimidoylguanidine
SMILES[H]/N=C(\N)N/C(N)=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N5/c13-10(14)16-11(15)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H6,13,14,15,16,17)
InChIKeyDZFJHDNHQUMWMX-UHFFFAOYSA-N
XLogP0.75
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Adamantyl)guanidine
CID 3314089
1-Adamantylguanidine hydrochloride
CID 70696519
1-(1-Adamantyl)-3-methyl-guanidine
CID 15956144
(N'-(adamantan-1-yl)carbamimidoyl)urea
CID 145855406
2-(1-Adamantyl)-1-(diaminomethylidene)guanidine
CID 4350234
1-[N'-(1-adamantyl)carbamimidoyl]-2-[6-[[[[N'-(1-adamantyl)carbamimidoyl]amino]-aminomethylidene]amino]hexyl]guanidine
CID 21436559
N-(1-Adamantyl)imidodicarbonimidic diamide dihydrochloride
CID 45053525
N-(adamantan-1-yl)-1-carbamimidamidomethanimidamide hydrochloride
CID 138039690
2-(1-Adamantyl)-1-carbamimidoylguanidine;dihydrochloride
CID 176518682
2-(3-Fluoro-1-adamantyl)guanidine
CID 58192768
3,5-Dimethyl-1-adamantylguanidine
CID 44120601
2-(4-Fluoro-1-adamantyl)guanidine
CID 51038902

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-carbamimidoylguanidine?
The IUPAC name of 2-(1-adamantyl)-1-carbamimidoylguanidine (CID 176519857) is 2-(1-adamantyl)-1-carbamimidoylguanidine.
What is the SMILES notation for 2-(1-adamantyl)-1-carbamimidoylguanidine?
The canonical SMILES for 2-(1-adamantyl)-1-carbamimidoylguanidine is [H]/N=C(\N)N/C(N)=N/C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-carbamimidoylguanidine?
The InChIKey is DZFJHDNHQUMWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c13-10(14)16-11(15)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H6,13,14,15,16,17).
What are the key properties of 2-(1-adamantyl)-1-carbamimidoylguanidine?
2-(1-adamantyl)-1-carbamimidoylguanidine has a molecular weight of 235.33 g/mol, XLogP of 0.75, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-carbamimidoylguanidine is sourced from PubChem (CID 176519857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).