4-(aminomethyl)adamantane-1,4-diol

C11H19NO2 — CID 51029911

IUPAC4-(aminomethyl)adamantane-1,4-diol
SMILESNCC1(O)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H19NO2/c12-6-11(14)8-1-7-2-9(11)5-10(13,3-7)4-8/h7-9,13-14H,1-6,12H2
InChIKeyDUHFYPODVVKEBM-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.25
Rot. Bonds1

About 4-(aminomethyl)adamantane-1,4-diol

4-(aminomethyl)adamantane-1,4-diol (PubChem CID 51029911) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(aminomethyl)adamantane-1,4-diol.

Molecular Properties

Compound Name4-(aminomethyl)adamantane-1,4-diol
PubChem CID51029911
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(aminomethyl)adamantane-1,4-diol
SMILESNCC1(O)C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H19NO2/c12-6-11(14)8-1-7-2-9(11)5-10(13,3-7)4-8/h7-9,13-14H,1-6,12H2
InChIKeyDUHFYPODVVKEBM-UHFFFAOYSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)adamantane-1,4-diol?
The IUPAC name of 4-(aminomethyl)adamantane-1,4-diol (CID 51029911) is 4-(aminomethyl)adamantane-1,4-diol.
What is the SMILES notation for 4-(aminomethyl)adamantane-1,4-diol?
The canonical SMILES for 4-(aminomethyl)adamantane-1,4-diol is NCC1(O)C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(aminomethyl)adamantane-1,4-diol?
The InChIKey is DUHFYPODVVKEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-6-11(14)8-1-7-2-9(11)5-10(13,3-7)4-8/h7-9,13-14H,1-6,12H2.
What are the key properties of 4-(aminomethyl)adamantane-1,4-diol?
4-(aminomethyl)adamantane-1,4-diol has a molecular weight of 197.28 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)adamantane-1,4-diol is sourced from PubChem (CID 51029911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).