3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine

C20H29N — CID 17157081

IUPAC3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCCc1ccccc1)(C3)C2
InChIInChI=1S/C20H29N/c1-18-10-17-11-19(2,13-18)15-20(12-17,14-18)21-9-8-16-6-4-3-5-7-16/h3-7,17,21H,8-15H2,1-2H3
InChIKeyVZKSOSMFFGVSQV-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.57
Rot. Bonds4

About 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine

3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine (PubChem CID 17157081) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine
PubChem CID17157081
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine
SMILESCC12CC3CC(C)(C1)CC(NCCc1ccccc1)(C3)C2
InChIInChI=1S/C20H29N/c1-18-10-17-11-19(2,13-18)15-20(12-17,14-18)21-9-8-16-6-4-3-5-7-16/h3-7,17,21H,8-15H2,1-2H3
InChIKeyVZKSOSMFFGVSQV-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine (CID 17157081) is 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine is CC12CC3CC(C)(C1)CC(NCCc1ccccc1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine?
The InChIKey is VZKSOSMFFGVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-18-10-17-11-19(2,13-18)15-20(12-17,14-18)21-9-8-16-6-4-3-5-7-16/h3-7,17,21H,8-15H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine?
3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-phenylethyl)adamantan-1-amine is sourced from PubChem (CID 17157081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).