(3S,5R)-N,3,5-trimethyladamantan-1-amine

C13H23N — CID 55278534

IUPAC(3S,5R)-N,3,5-trimethyladamantan-1-amine
SMILESCNC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyFQPYRWAIWQNTFQ-UNTZMWQOSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds1

About (3S,5R)-N,3,5-trimethyladamantan-1-amine

(3S,5R)-N,3,5-trimethyladamantan-1-amine (PubChem CID 55278534) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3S,5R)-N,3,5-trimethyladamantan-1-amine.

Molecular Properties

Compound Name(3S,5R)-N,3,5-trimethyladamantan-1-amine
PubChem CID55278534
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3S,5R)-N,3,5-trimethyladamantan-1-amine
SMILESCNC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
InChIInChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/t10?,11-,12+,13?
InChIKeyFQPYRWAIWQNTFQ-UNTZMWQOSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N,3,5-trimethyladamantan-1-amine?
The IUPAC name of (3S,5R)-N,3,5-trimethyladamantan-1-amine (CID 55278534) is (3S,5R)-N,3,5-trimethyladamantan-1-amine.
What is the SMILES notation for (3S,5R)-N,3,5-trimethyladamantan-1-amine?
The canonical SMILES for (3S,5R)-N,3,5-trimethyladamantan-1-amine is CNC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2.
What is the InChIKey of (3S,5R)-N,3,5-trimethyladamantan-1-amine?
The InChIKey is FQPYRWAIWQNTFQ-UNTZMWQOSA-N. The full InChI is InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3/t10?,11-,12+,13?.
What are the key properties of (3S,5R)-N,3,5-trimethyladamantan-1-amine?
(3S,5R)-N,3,5-trimethyladamantan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N,3,5-trimethyladamantan-1-amine is sourced from PubChem (CID 55278534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).