4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol

C17H23NO — CID 2990088

IUPAC4-(benzylamino)adamantan-1-ol
SMILESC1C2CC3CC(C2)(CC1C3NCC4=CC=CC=C4)O
InChIInChI=1S/C17H23NO/c19-17-8-13-6-14(9-17)16(15(7-13)10-17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2
InChIKeyAFYONXZDFSWICD-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.40
Rot. Bonds3

About 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol

4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol (PubChem CID 2990088) has the molecular formula C17H23NO and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-(benzylamino)adamantan-1-ol.

Molecular Properties

Compound Name4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol
PubChem CID2990088
Molecular FormulaC17H23NO
Molecular Weight257.37 g/mol
Exact Mass257.18
IUPAC Name4-(benzylamino)adamantan-1-ol
SMILESC1C2CC3CC(C2)(CC1C3NCC4=CC=CC=C4)O
InChIInChI=1S/C17H23NO/c19-17-8-13-6-14(9-17)16(15(7-13)10-17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2
InChIKeyAFYONXZDFSWICD-UHFFFAOYSA-N
XLogP2.40
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity320

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol?
The IUPAC name of 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol (CID 2990088) is 4-(benzylamino)adamantan-1-ol.
What is the SMILES notation for 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol?
The canonical SMILES for 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol is C1C2CC3CC(C2)(CC1C3NCC4=CC=CC=C4)O.
What is the InChIKey of 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol?
The InChIKey is AFYONXZDFSWICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-17-8-13-6-14(9-17)16(15(7-13)10-17)18-11-12-4-2-1-3-5-12/h1-5,13-16,18-19H,6-11H2.
What are the key properties of 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol?
4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Benzylamino)tricyclo[3.3.1.1~3,7~]decan-1-ol is sourced from PubChem (CID 2990088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).