(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol

C15H24N2O2 — CID 116756255

IUPAC(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cnccc2N)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(8-5-3-4-6-9-15)14(18)12-11-17-10-7-13(12)16/h7,10-11,14,18H,2-6,8-9H2,1H3,(H2,16,17)
InChIKeyLEOTVYKQPZACTE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.83
Rot. Bonds4

About (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol

(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol (PubChem CID 116756255) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
PubChem CID116756255
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
SMILESCCOC1(C(O)c2cnccc2N)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15(8-5-3-4-6-9-15)14(18)12-11-17-10-7-13(12)16/h7,10-11,14,18H,2-6,8-9H2,1H3,(H2,16,17)
InChIKeyLEOTVYKQPZACTE-UHFFFAOYSA-N
XLogP2.83
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol?
The IUPAC name of (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol (CID 116756255) is (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol.
What is the SMILES notation for (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol?
The canonical SMILES for (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol is CCOC1(C(O)c2cnccc2N)CCCCCC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol?
The InChIKey is LEOTVYKQPZACTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15(8-5-3-4-6-9-15)14(18)12-11-17-10-7-13(12)16/h7,10-11,14,18H,2-6,8-9H2,1H3,(H2,16,17).
What are the key properties of (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol?
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol has a molecular weight of 264.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol is sourced from PubChem (CID 116756255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).