2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol

C16H26N2O2 — CID 116756060

IUPAC2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol
SMILESCCOC1(C(O)Cc2ccnc(N)c2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-20-16(8-5-3-4-6-9-16)14(19)11-13-7-10-18-15(17)12-13/h7,10,12,14,19H,2-6,8-9,11H2,1H3,(H2,17,18)
InChIKeyOLVDUTRTIPJYMQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol

2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol (PubChem CID 116756060) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol
PubChem CID116756060
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol
SMILESCCOC1(C(O)Cc2ccnc(N)c2)CCCCCC1
InChIInChI=1S/C16H26N2O2/c1-2-20-16(8-5-3-4-6-9-16)14(19)11-13-7-10-18-15(17)12-13/h7,10,12,14,19H,2-6,8-9,11H2,1H3,(H2,17,18)
InChIKeyOLVDUTRTIPJYMQ-UHFFFAOYSA-N
XLogP2.70
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79070793
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
4-[2-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]pyridin-2-amine
CID 116714708
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048191
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 102618286
2-(2,3-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 107308277
1-(1-ethoxycycloheptyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 116770574

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol (CID 116756060) is 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol is CCOC1(C(O)Cc2ccnc(N)c2)CCCCCC1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol?
The InChIKey is OLVDUTRTIPJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-20-16(8-5-3-4-6-9-16)14(19)11-13-7-10-18-15(17)12-13/h7,10,12,14,19H,2-6,8-9,11H2,1H3,(H2,17,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol is sourced from PubChem (CID 116756060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).