3-ethyl-5-phenyladamantan-1-amine

C18H25N — CID 10220703

IUPAC3-ethyl-5-phenyladamantan-1-amine
SMILESCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3
InChIKeyKMRHMPLKDOCESH-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.02
Rot. Bonds2

About 3-ethyl-5-phenyladamantan-1-amine

3-ethyl-5-phenyladamantan-1-amine (PubChem CID 10220703) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-ethyl-5-phenyladamantan-1-amine.

Molecular Properties

Compound Name3-ethyl-5-phenyladamantan-1-amine
PubChem CID10220703
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name3-ethyl-5-phenyladamantan-1-amine
SMILESCCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2
InChIInChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3
InChIKeyKMRHMPLKDOCESH-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-phenyladamantan-1-amine?
The IUPAC name of 3-ethyl-5-phenyladamantan-1-amine (CID 10220703) is 3-ethyl-5-phenyladamantan-1-amine.
What is the SMILES notation for 3-ethyl-5-phenyladamantan-1-amine?
The canonical SMILES for 3-ethyl-5-phenyladamantan-1-amine is CCC12CC3CC(N)(C1)CC(c1ccccc1)(C3)C2.
What is the InChIKey of 3-ethyl-5-phenyladamantan-1-amine?
The InChIKey is KMRHMPLKDOCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-16-8-14-9-17(11-16,13-18(19,10-14)12-16)15-6-4-3-5-7-15/h3-7,14H,2,8-13,19H2,1H3.
What are the key properties of 3-ethyl-5-phenyladamantan-1-amine?
3-ethyl-5-phenyladamantan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-phenyladamantan-1-amine is sourced from PubChem (CID 10220703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).