2-(2-adamantylamino)-2-ethylpropane-1,3-diol

C15H27NO2 — CID 103935710

IUPAC2-(2-adamantylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NO2/c1-2-15(8-17,9-18)16-14-12-4-10-3-11(6-12)7-13(14)5-10/h10-14,16-18H,2-9H2,1H3
InChIKeyGMZPCELGLPNMPK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.53
Rot. Bonds5

About 2-(2-adamantylamino)-2-ethylpropane-1,3-diol

2-(2-adamantylamino)-2-ethylpropane-1,3-diol (PubChem CID 103935710) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(2-adamantylamino)-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-adamantylamino)-2-ethylpropane-1,3-diol
PubChem CID103935710
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(2-adamantylamino)-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H27NO2/c1-2-15(8-17,9-18)16-14-12-4-10-3-11(6-12)7-13(14)5-10/h10-14,16-18H,2-9H2,1H3
InChIKeyGMZPCELGLPNMPK-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantylamino)propan-2-ol
CID 4240030
Cambridge id 6045519
CID 2882245
2-(1-Adamantylamino)ethanol
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Ethanol, 2-(2-adamantylamino)-, hydrochloride
CID 64368
2-(2-Adamantylamino)ethanol
CID 64369
Adamantane, 1-(2-(2-hydroxyethyl)aminopropyl)-, hydrochloride
CID 36011
2-[(1-Adamantylmethyl)amino]-1-propanol
CID 2882246
2-Adamantyl(2-methoxy-1-methylethyl)amine
CID 3715788
2-(1-Adamantylmethylamino)-3-methylbutan-1-ol
CID 23990757
2-Adamantylaminopropanol
CID 138961432
2-[(3,5-Dimethyl-1-adamantyl)amino]ethanol
CID 23009218
2-Adamantylaminopropanol hydrochloride
CID 138961436

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantylamino)-2-ethylpropane-1,3-diol?
The IUPAC name of 2-(2-adamantylamino)-2-ethylpropane-1,3-diol (CID 103935710) is 2-(2-adamantylamino)-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-(2-adamantylamino)-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-(2-adamantylamino)-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantylamino)-2-ethylpropane-1,3-diol?
The InChIKey is GMZPCELGLPNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-15(8-17,9-18)16-14-12-4-10-3-11(6-12)7-13(14)5-10/h10-14,16-18H,2-9H2,1H3.
What are the key properties of 2-(2-adamantylamino)-2-ethylpropane-1,3-diol?
2-(2-adamantylamino)-2-ethylpropane-1,3-diol has a molecular weight of 253.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantylamino)-2-ethylpropane-1,3-diol is sourced from PubChem (CID 103935710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).