2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine

C19H29N — CID 175762891

IUPAC2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine
SMILESCC1=C(C)C(C2C3CC4CC(C3)CC2(N)C4)C(C)=C1C
InChIInChI=1S/C19H29N/c1-10-11(2)13(4)17(12(10)3)18-16-6-14-5-15(7-16)9-19(18,20)8-14/h14-18H,5-9,20H2,1-4H3
InChIKeyMUOQEDDAOVUFCH-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.44
Rot. Bonds1

About 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine

2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine (PubChem CID 175762891) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine
PubChem CID175762891
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine
SMILESCC1=C(C)C(C2C3CC4CC(C3)CC2(N)C4)C(C)=C1C
InChIInChI=1S/C19H29N/c1-10-11(2)13(4)17(12(10)3)18-16-6-14-5-15(7-16)9-19(18,20)8-14/h14-18H,5-9,20H2,1-4H3
InChIKeyMUOQEDDAOVUFCH-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine?
The IUPAC name of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine (CID 175762891) is 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine.
What is the SMILES notation for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine?
The canonical SMILES for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine is CC1=C(C)C(C2C3CC4CC(C3)CC2(N)C4)C(C)=C1C.
What is the InChIKey of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine?
The InChIKey is MUOQEDDAOVUFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-10-11(2)13(4)17(12(10)3)18-16-6-14-5-15(7-16)9-19(18,20)8-14/h14-18H,5-9,20H2,1-4H3.
What are the key properties of 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine?
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)adamantan-1-amine is sourced from PubChem (CID 175762891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).