(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine

C9H15N3O — CID 55291895

IUPAC(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCOc1ncccc1[C@@H](N)CN
InChIInChI=1S/C9H15N3O/c1-2-13-9-7(8(11)6-10)4-3-5-12-9/h3-5,8H,2,6,10-11H2,1H3/t8-/m0/s1
InChIKeyVQYKBOFTRJXGSD-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.44
Rot. Bonds4

About (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine

(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 55291895) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID55291895
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCOc1ncccc1[C@@H](N)CN
InChIInChI=1S/C9H15N3O/c1-2-13-9-7(8(11)6-10)4-3-5-12-9/h3-5,8H,2,6,10-11H2,1H3/t8-/m0/s1
InChIKeyVQYKBOFTRJXGSD-QMMMGPOBSA-N
XLogP0.44
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(2-ethoxy-3-pyridinyl)ethanol
CID 55294211
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
cyclopropyl-(2-ethoxy-3-pyridinyl)methanamine
CID 55296468
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
2-(2-ethoxy-3-pyridinyl)propanenitrile
CID 175668388
2-N-(2-ethoxy-3-pyridinyl)propane-1,2-diamine
CID 103388376
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
2-(4-ethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105101378

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine (CID 55291895) is (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine is CCOc1ncccc1[C@@H](N)CN.
What is the InChIKey of (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is VQYKBOFTRJXGSD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-9-7(8(11)6-10)4-3-5-12-9/h3-5,8H,2,6,10-11H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine?
(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55291895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).