1-dodecyladamantan-2-amine

C22H41N — CID 24882641

IUPAC1-dodecyladamantan-2-amine
SMILESCCCCCCCCCCCCC12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-22-16-18-13-19(17-22)15-20(14-18)21(22)23/h18-21H,2-17,23H2,1H3
InChIKeyAHGVCCKGWKZDKK-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.45
Rot. Bonds11

About 1-dodecyladamantan-2-amine

1-dodecyladamantan-2-amine (PubChem CID 24882641) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 1-dodecyladamantan-2-amine.

Molecular Properties

Compound Name1-dodecyladamantan-2-amine
PubChem CID24882641
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name1-dodecyladamantan-2-amine
SMILESCCCCCCCCCCCCC12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-22-16-18-13-19(17-22)15-20(14-18)21(22)23/h18-21H,2-17,23H2,1H3
InChIKeyAHGVCCKGWKZDKK-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyladamantan-2-amine?
The IUPAC name of 1-dodecyladamantan-2-amine (CID 24882641) is 1-dodecyladamantan-2-amine.
What is the SMILES notation for 1-dodecyladamantan-2-amine?
The canonical SMILES for 1-dodecyladamantan-2-amine is CCCCCCCCCCCCC12CC3CC(CC(C3)C1N)C2.
What is the InChIKey of 1-dodecyladamantan-2-amine?
The InChIKey is AHGVCCKGWKZDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-2-3-4-5-6-7-8-9-10-11-12-22-16-18-13-19(17-22)15-20(14-18)21(22)23/h18-21H,2-17,23H2,1H3.
What are the key properties of 1-dodecyladamantan-2-amine?
1-dodecyladamantan-2-amine has a molecular weight of 319.58 g/mol, XLogP of 6.45, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyladamantan-2-amine is sourced from PubChem (CID 24882641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).