4-(aminomethyl)adamantan-1-ol

C11H19NO — CID 51029993

IUPAC4-(aminomethyl)adamantan-1-ol
SMILESNCC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H19NO/c12-6-10-8-1-7-2-9(10)5-11(13,3-7)4-8/h7-10,13H,1-6,12H2
InChIKeyFLODYIZTSRHFBC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.13
Rot. Bonds1

About 4-(aminomethyl)adamantan-1-ol

4-(aminomethyl)adamantan-1-ol (PubChem CID 51029993) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(aminomethyl)adamantan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)adamantan-1-ol
PubChem CID51029993
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(aminomethyl)adamantan-1-ol
SMILESNCC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C11H19NO/c12-6-10-8-1-7-2-9(10)5-11(13,3-7)4-8/h7-10,13H,1-6,12H2
InChIKeyFLODYIZTSRHFBC-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)adamantan-1-ol?
The IUPAC name of 4-(aminomethyl)adamantan-1-ol (CID 51029993) is 4-(aminomethyl)adamantan-1-ol.
What is the SMILES notation for 4-(aminomethyl)adamantan-1-ol?
The canonical SMILES for 4-(aminomethyl)adamantan-1-ol is NCC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-(aminomethyl)adamantan-1-ol?
The InChIKey is FLODYIZTSRHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c12-6-10-8-1-7-2-9(10)5-11(13,3-7)4-8/h7-10,13H,1-6,12H2.
What are the key properties of 4-(aminomethyl)adamantan-1-ol?
4-(aminomethyl)adamantan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)adamantan-1-ol is sourced from PubChem (CID 51029993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).