2-(3-methyl-1-adamantyl)guanidine

C12H21N3 — CID 58192783

IUPAC2-(3-methyl-1-adamantyl)guanidine
SMILESCC12CC3CC(C1)CC(N=C(N)N)(C3)C2
InChIInChI=1S/C12H21N3/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)15-10(13)14/h8-9H,2-7H2,1H3,(H4,13,14,15)
InChIKeyRKECABYQQLFXPZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.62
Rot. Bonds1

About 2-(3-methyl-1-adamantyl)guanidine

2-(3-methyl-1-adamantyl)guanidine (PubChem CID 58192783) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3-methyl-1-adamantyl)guanidine.

Molecular Properties

Compound Name2-(3-methyl-1-adamantyl)guanidine
PubChem CID58192783
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(3-methyl-1-adamantyl)guanidine
SMILESCC12CC3CC(C1)CC(N=C(N)N)(C3)C2
InChIInChI=1S/C12H21N3/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)15-10(13)14/h8-9H,2-7H2,1H3,(H4,13,14,15)
InChIKeyRKECABYQQLFXPZ-UHFFFAOYSA-N
XLogP1.62
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-Adamantylmethyl)guanidine
CID 23009798
1-(1-Adamantyl)guanidine
CID 3314089
1-Adamantylguanidine hydrochloride
CID 70696519
2-(1-Adamantyl)-1-(diaminomethylidene)guanidine
CID 4350234
N-(1-Adamantyl)imidodicarbonimidic diamide dihydrochloride
CID 45053525
2-(1-Adamantyl)-1-carbamimidoylguanidine
CID 176519857
N-(adamantan-1-yl)-1-carbamimidamidomethanimidamide hydrochloride
CID 138039690
N-[2-(3,5-dimethyl-1-adamantyl)ethyl]gua-nidine
CID 21869081
2-(3-Fluoro-1-adamantyl)guanidine
CID 58192768
3,5-Dimethyl-1-adamantylguanidine hydrochloride
CID 44120600
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-(3-methyl-1-adamantyl)guanidine?
The IUPAC name of 2-(3-methyl-1-adamantyl)guanidine (CID 58192783) is 2-(3-methyl-1-adamantyl)guanidine.
What is the SMILES notation for 2-(3-methyl-1-adamantyl)guanidine?
The canonical SMILES for 2-(3-methyl-1-adamantyl)guanidine is CC12CC3CC(C1)CC(N=C(N)N)(C3)C2.
What is the InChIKey of 2-(3-methyl-1-adamantyl)guanidine?
The InChIKey is RKECABYQQLFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-11-3-8-2-9(4-11)6-12(5-8,7-11)15-10(13)14/h8-9H,2-7H2,1H3,(H4,13,14,15).
What are the key properties of 2-(3-methyl-1-adamantyl)guanidine?
2-(3-methyl-1-adamantyl)guanidine has a molecular weight of 207.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-adamantyl)guanidine is sourced from PubChem (CID 58192783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).