1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine

C26H31N3 — CID 22675832

IUPAC1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine
SMILES[H]/N=C(\N(C)c1cccc2c1Cc1ccccc1-2)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H31N3/c1-28(24-9-5-8-22-21-7-4-3-6-18(21)15-23(22)24)26(27)29(2)25-19-11-16-10-17(13-19)14-20(25)12-16/h3-9,16-17,19-20,25,27H,10-15H2,1-2H3/b27-26+
InChIKeyUDTPAUBSSGDNTL-CYYJNZCTSA-N
MW385.56 g/mol
LogP5.39
Rot. Bonds2

About 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine

1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine (PubChem CID 22675832) has the molecular formula C26H31N3 and a molecular weight of 385.56 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine
PubChem CID22675832
Molecular FormulaC26H31N3
Molecular Weight385.56 g/mol
Exact Mass385.25
IUPAC Name1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine
SMILES[H]/N=C(\N(C)c1cccc2c1Cc1ccccc1-2)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C26H31N3/c1-28(24-9-5-8-22-21-7-4-3-6-18(21)15-23(22)24)26(27)29(2)25-19-11-16-10-17(13-19)14-20(25)12-16/h3-9,16-17,19-20,25,27H,10-15H2,1-2H3/b27-26+
InChIKeyUDTPAUBSSGDNTL-CYYJNZCTSA-N
XLogP5.39
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 55.39
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'}

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Related Compounds

1-carbamimidoyl-1-(9H-fluoren-1-yl)guanidine
CID 151786847
1-(1,2-dihydroacenaphthylen-3-yl)-3-(9H-fluoren-2-yl)-1,3-dimethylguanidine
CID 18752087
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
sodium N,N-bis(9H-fluoren-1-yl)carbamodithioate
CID 172839422
N-(2-adamantyl)-N,3-dimethyl-1-oxo-4H-isochromene-3-carboxamide
CID 78858475
1-(1-adamantyl)-9H-fluorene
CID 141137518
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
N,N-didecyl-9H-fluoren-1-amine
CID 151349271
N-(9H-fluoren-1-yl)-N-tetradecyl-9H-fluoren-1-amine
CID 150228680
9H-fluoren-1-yl-tri(propan-2-yl)silane
CID 162150347
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
bis(9H-fluoren-1-yl)mercury
CID 154196677

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine?
The IUPAC name of 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine (CID 22675832) is 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine.
What is the SMILES notation for 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine?
The canonical SMILES for 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine is [H]/N=C(\N(C)c1cccc2c1Cc1ccccc1-2)N(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine?
The InChIKey is UDTPAUBSSGDNTL-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H31N3/c1-28(24-9-5-8-22-21-7-4-3-6-18(21)15-23(22)24)26(27)29(2)25-19-11-16-10-17(13-19)14-20(25)12-16/h3-9,16-17,19-20,25,27H,10-15H2,1-2H3/b27-26+.
What are the key properties of 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine?
1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine has a molecular weight of 385.56 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(9H-fluoren-1-yl)-1,3-dimethylguanidine is sourced from PubChem (CID 22675832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).