1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine

C19H31N — CID 79988542

IUPAC1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine
SMILESCC12CC3CC(C)(C1)CC(CC(N)C1=CCCC1)(C3)C2
InChIInChI=1S/C19H31N/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)10-16(20)15-5-3-4-6-15/h5,14,16H,3-4,6-13,20H2,1-2H3
InChIKeyCBLSFFBGEOCDST-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.81
Rot. Bonds3

About 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine

1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine (PubChem CID 79988542) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine
PubChem CID79988542
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine
SMILESCC12CC3CC(C)(C1)CC(CC(N)C1=CCCC1)(C3)C2
InChIInChI=1S/C19H31N/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)10-16(20)15-5-3-4-6-15/h5,14,16H,3-4,6-13,20H2,1-2H3
InChIKeyCBLSFFBGEOCDST-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine (CID 79988542) is 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine is CC12CC3CC(C)(C1)CC(CC(N)C1=CCCC1)(C3)C2.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine?
The InChIKey is CBLSFFBGEOCDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-17-7-14-8-18(2,11-17)13-19(9-14,12-17)10-16(20)15-5-3-4-6-15/h5,14,16H,3-4,6-13,20H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine?
1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine has a molecular weight of 273.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-(3,5-dimethyl-1-adamantyl)ethanamine is sourced from PubChem (CID 79988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).