4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

C19H25N3O — CID 58146367

IUPAC4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESNCc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C19H25N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-9,20H2,(H,21,22)
InChIKeyNFDOIHLGUOFVSD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.46
Rot. Bonds3

About 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol

4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (PubChem CID 58146367) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.

Molecular Properties

Compound Name4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
PubChem CID58146367
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
SMILESNCc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2
InChIInChI=1S/C19H25N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-9,20H2,(H,21,22)
InChIKeyNFDOIHLGUOFVSD-UHFFFAOYSA-N
XLogP2.46
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The IUPAC name of 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol (CID 58146367) is 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol.
What is the SMILES notation for 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The canonical SMILES for 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is NCc1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.
What is the InChIKey of 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
The InChIKey is NFDOIHLGUOFVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-9-14-10-21-16-3-1-2-15(16)18(14)22-17-12-4-11-5-13(17)8-19(23,6-11)7-12/h1-2,10-13,17,23H,3-9,20H2,(H,21,22).
What are the key properties of 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol?
4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol has a molecular weight of 311.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol is sourced from PubChem (CID 58146367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).