2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol

C13H21N3O — CID 80629638

IUPAC2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol
SMILESCCNCc1ccc(N(CCO)C2CC2)nc1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-3-6-13(15-10-11)16(7-8-17)12-4-5-12/h3,6,10,12,14,17H,2,4-5,7-9H2,1H3
InChIKeyXVDQPXLBSCQUQR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds7

About 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol

2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol (PubChem CID 80629638) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol
PubChem CID80629638
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol
SMILESCCNCc1ccc(N(CCO)C2CC2)nc1
InChIInChI=1S/C13H21N3O/c1-2-14-9-11-3-6-13(15-10-11)16(7-8-17)12-4-5-12/h3,6,10,12,14,17H,2,4-5,7-9H2,1H3
InChIKeyXVDQPXLBSCQUQR-UHFFFAOYSA-N
XLogP1.15
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol (CID 80629638) is 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol is CCNCc1ccc(N(CCO)C2CC2)nc1.
What is the InChIKey of 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is XVDQPXLBSCQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-14-9-11-3-6-13(15-10-11)16(7-8-17)12-4-5-12/h3,6,10,12,14,17H,2,4-5,7-9H2,1H3.
What are the key properties of 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol?
2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 80629638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).