(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine

C9H15N3O — CID 55275153

IUPAC(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCOc1ccc([C@H](N)CN)cn1
InChIInChI=1S/C9H15N3O/c1-2-13-9-4-3-7(6-12-9)8(11)5-10/h3-4,6,8H,2,5,10-11H2,1H3/t8-/m1/s1
InChIKeyVEXBMRXBYYOETK-MRVPVSSYSA-N
MW181.24 g/mol
LogP0.44
Rot. Bonds4

About (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine

(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 55275153) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID55275153
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCCOc1ccc([C@H](N)CN)cn1
InChIInChI=1S/C9H15N3O/c1-2-13-9-4-3-7(6-12-9)8(11)5-10/h3-4,6,8H,2,5,10-11H2,1H3/t8-/m1/s1
InChIKeyVEXBMRXBYYOETK-MRVPVSSYSA-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

(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
CID 170828157
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
CID 55294382
1-(6-cyclopentyloxy-3-pyridinyl)ethane-1,2-diamine
CID 170894791
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
5-(chloromethyl)-2-ethoxypyridine
CID 10535190

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine (CID 55275153) is (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine is CCOc1ccc([C@H](N)CN)cn1.
What is the InChIKey of (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is VEXBMRXBYYOETK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-13-9-4-3-7(6-12-9)8(11)5-10/h3-4,6,8H,2,5,10-11H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine?
(1S)-1-(6-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 (1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55275153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).