N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine

C19H33NO — CID 79995539

IUPACN-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-4-20-16(15-5-6-21-10-15)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h14-16,20H,4-13H2,1-3H3
InChIKeyZUTAQHTUKCXEMU-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.00
Rot. Bonds4

About N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine

N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 79995539) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID79995539
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H33NO/c1-4-20-16(15-5-6-21-10-15)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h14-16,20H,4-13H2,1-3H3
InChIKeyZUTAQHTUKCXEMU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine 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 N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine (CID 79995539) is N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(C1CCOC1)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is ZUTAQHTUKCXEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-20-16(15-5-6-21-10-15)19-9-14-7-17(2,12-19)11-18(3,8-14)13-19/h14-16,20H,4-13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-adamantyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79995539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).