2-[2-(3-methyl-1-adamantyl)ethyl]guanidine

C14H25N3 — CID 3926851

IUPAC2-[2-(3-methyl-1-adamantyl)ethyl]guanidine
SMILESCC12CC3CC(C1)CC(CCN=C(N)N)(C3)C2
InChIInChI=1S/C14H25N3/c1-13-5-10-4-11(6-13)8-14(7-10,9-13)2-3-17-12(15)16/h10-11H,2-9H2,1H3,(H4,15,16,17)
InChIKeyMXDPBLBPNSFKMX-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine

2-[2-(3-methyl-1-adamantyl)ethyl]guanidine (PubChem CID 3926851) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(3-methyl-1-adamantyl)ethyl]guanidine
PubChem CID3926851
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[2-(3-methyl-1-adamantyl)ethyl]guanidine
SMILESCC12CC3CC(C1)CC(CCN=C(N)N)(C3)C2
InChIInChI=1S/C14H25N3/c1-13-5-10-4-11(6-13)8-14(7-10,9-13)2-3-17-12(15)16/h10-11H,2-9H2,1H3,(H4,15,16,17)
InChIKeyMXDPBLBPNSFKMX-UHFFFAOYSA-N
XLogP2.26
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.26
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-[2-(3-methyl-1-adamantyl)ethyl]guanidine?
The IUPAC name of 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine (CID 3926851) is 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine?
The canonical SMILES for 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine is CC12CC3CC(C1)CC(CCN=C(N)N)(C3)C2.
What is the InChIKey of 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine?
The InChIKey is MXDPBLBPNSFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13-5-10-4-11(6-13)8-14(7-10,9-13)2-3-17-12(15)16/h10-11H,2-9H2,1H3,(H4,15,16,17).
What are the key properties of 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine?
2-[2-(3-methyl-1-adamantyl)ethyl]guanidine has a molecular weight of 235.37 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1-adamantyl)ethyl]guanidine is sourced from PubChem (CID 3926851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).