2-(1-adamantylmethyl)guanidine

C12H21N3 — CID 23009798

IUPAC2-(1-adamantylmethyl)guanidine
SMILESNC(N)=NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)
InChIKeyGAYYIZMRYZOIJI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.48
Rot. Bonds2

About 2-(1-adamantylmethyl)guanidine

2-(1-adamantylmethyl)guanidine (PubChem CID 23009798) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1-adamantylmethyl)guanidine.

Molecular Properties

Compound Name2-(1-adamantylmethyl)guanidine
PubChem CID23009798
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(1-adamantylmethyl)guanidine
SMILESNC(N)=NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)
InChIKeyGAYYIZMRYZOIJI-UHFFFAOYSA-N
XLogP1.48
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethyl)guanidine?
The IUPAC name of 2-(1-adamantylmethyl)guanidine (CID 23009798) is 2-(1-adamantylmethyl)guanidine.
What is the SMILES notation for 2-(1-adamantylmethyl)guanidine?
The canonical SMILES for 2-(1-adamantylmethyl)guanidine is NC(N)=NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethyl)guanidine?
The InChIKey is GAYYIZMRYZOIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15).
What are the key properties of 2-(1-adamantylmethyl)guanidine?
2-(1-adamantylmethyl)guanidine has a molecular weight of 207.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethyl)guanidine is sourced from PubChem (CID 23009798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).