(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride

C9H16ClN3O — CID 171203594

IUPAC(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCN)cn1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-13-9-3-2-7(6-12-9)8(11)4-5-10;/h2-3,6,8H,4-5,10-11H2,1H3;1H/t8-;/m1./s1
InChIKeyLHUAJLDYFHHVHV-DDWIOCJRSA-N
MW217.70 g/mol
LogP0.86
Rot. Bonds4

About (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride

(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride (PubChem CID 171203594) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
PubChem CID171203594
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCN)cn1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-13-9-3-2-7(6-12-9)8(11)4-5-10;/h2-3,6,8H,4-5,10-11H2,1H3;1H/t8-;/m1./s1
InChIKeyLHUAJLDYFHHVHV-DDWIOCJRSA-N
XLogP0.86
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride (CID 171203594) is (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride is COc1ccc([C@H](N)CCN)cn1.Cl.
What is the InChIKey of (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride?
The InChIKey is LHUAJLDYFHHVHV-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-13-9-3-2-7(6-12-9)8(11)4-5-10;/h2-3,6,8H,4-5,10-11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171203594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).