1-(1-adamantyl)-2-propoxyethanamine

C15H27NO — CID 43247979

IUPAC1-(1-adamantyl)-2-propoxyethanamine
SMILESCCCOCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-2-3-17-10-14(16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-10,16H2,1H3
InChIKeyJFCDRPRWZBGWKR-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds5

About 1-(1-adamantyl)-2-propoxyethanamine

1-(1-adamantyl)-2-propoxyethanamine (PubChem CID 43247979) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-propoxyethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-propoxyethanamine
PubChem CID43247979
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-adamantyl)-2-propoxyethanamine
SMILESCCCOCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO/c1-2-3-17-10-14(16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-10,16H2,1H3
InChIKeyJFCDRPRWZBGWKR-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-adamantyl)-2-propoxyethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
2-Adamantan-1-yl-2-amino-ethanol
CID 2835978
2-[(3,5-Dimethyl-1-adamantyl)oxy]ethanamine
CID 303801
(R)-2-(Adamantan-1-yl)-2-aminoethanol
CID 789781
1-(Adamantan-1-yl)-2-hydroxyethan-1-aminium chloride
CID 137331627
1-(1-Adamantyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785317
1-(1-adamantyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756103
1-(1-Adamantyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275214
1-(1-adamantyl)-2-(2,2-difluoroethoxy)-N-methylethanamine
CID 82004959
1-(1-Adamantyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82005059
1-(1-Adamantyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82782797
1-(1-Adamantyl)-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82954065

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-propoxyethanamine?
The IUPAC name of 1-(1-adamantyl)-2-propoxyethanamine (CID 43247979) is 1-(1-adamantyl)-2-propoxyethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-propoxyethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-propoxyethanamine is CCCOCC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-propoxyethanamine?
The InChIKey is JFCDRPRWZBGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-17-10-14(16)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-14H,2-10,16H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-propoxyethanamine?
1-(1-adamantyl)-2-propoxyethanamine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-propoxyethanamine is sourced from PubChem (CID 43247979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).