(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine

C24H45N — CID 24806904

IUPAC(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine
SMILESCCCCCCCCCCCCC12C[C@@H]3CC(C[C@@H](C3)C1)C2NCC
InChIInChI=1S/C24H45N/c1-3-5-6-7-8-9-10-11-12-13-14-24-18-20-15-21(19-24)17-22(16-20)23(24)25-4-2/h20-23,25H,3-19H2,1-2H3/t20-,21+,22?,23?,24?
InChIKeyUXJVQEVKUCMQJB-FYEMXJEOSA-N
MW347.63 g/mol
LogP7.10
Rot. Bonds13

About (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine

(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine (PubChem CID 24806904) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine.

Molecular Properties

Compound Name(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine
PubChem CID24806904
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine
SMILESCCCCCCCCCCCCC12C[C@@H]3CC(C[C@@H](C3)C1)C2NCC
InChIInChI=1S/C24H45N/c1-3-5-6-7-8-9-10-11-12-13-14-24-18-20-15-21(19-24)17-22(16-20)23(24)25-4-2/h20-23,25H,3-19H2,1-2H3/t20-,21+,22?,23?,24?
InChIKeyUXJVQEVKUCMQJB-FYEMXJEOSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.10
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 (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine?
The IUPAC name of (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine (CID 24806904) is (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine.
What is the SMILES notation for (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine?
The canonical SMILES for (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine is CCCCCCCCCCCCC12C[C@@H]3CC(C[C@@H](C3)C1)C2NCC.
What is the InChIKey of (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine?
The InChIKey is UXJVQEVKUCMQJB-FYEMXJEOSA-N. The full InChI is InChI=1S/C24H45N/c1-3-5-6-7-8-9-10-11-12-13-14-24-18-20-15-21(19-24)17-22(16-20)23(24)25-4-2/h20-23,25H,3-19H2,1-2H3/t20-,21+,22?,23?,24?.
What are the key properties of (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine?
(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine has a molecular weight of 347.63 g/mol, XLogP of 7.10, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-1-dodecyl-N-ethyladamantan-2-amine is sourced from PubChem (CID 24806904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).