1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine

C17H31NO — CID 105013248

IUPAC1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31NO/c1-4-18-16(10-19-11(2)3)17-14-6-12-5-13(8-14)9-15(17)7-12/h11-18H,4-10H2,1-3H3
InChIKeyDWWWXMJBHDNTTI-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.46
Rot. Bonds6

About 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine

1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine (PubChem CID 105013248) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine
PubChem CID105013248
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H31NO/c1-4-18-16(10-19-11(2)3)17-14-6-12-5-13(8-14)9-15(17)7-12/h11-18H,4-10H2,1-3H3
InChIKeyDWWWXMJBHDNTTI-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine?
The IUPAC name of 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine (CID 105013248) is 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine is CCNC(COC(C)C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine?
The InChIKey is DWWWXMJBHDNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-18-16(10-19-11(2)3)17-14-6-12-5-13(8-14)9-15(17)7-12/h11-18H,4-10H2,1-3H3.
What are the key properties of 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine?
1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine has a molecular weight of 265.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-ethyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 105013248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).