1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine

C17H31NO — CID 105007902

IUPAC1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine
SMILESCCOCC(N)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-4-19-9-14(18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14H,4-12,18H2,1-3H3
InChIKeyDHFLODZMMBMIKP-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.74
Rot. Bonds5

About 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine

1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine (PubChem CID 105007902) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine
PubChem CID105007902
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine
SMILESCCOCC(N)CC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C17H31NO/c1-4-19-9-14(18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14H,4-12,18H2,1-3H3
InChIKeyDHFLODZMMBMIKP-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine (CID 105007902) is 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine is CCOCC(N)CC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine?
The InChIKey is DHFLODZMMBMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-19-9-14(18)8-17-7-13-5-15(2,11-17)10-16(3,6-13)12-17/h13-14H,4-12,18H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine?
1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-3-ethoxypropan-2-amine is sourced from PubChem (CID 105007902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).