(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride

C10H18ClN3O — CID 171203596

IUPAC(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCCN)cn1.Cl
InChIInChI=1S/C10H17N3O.ClH/c1-14-10-5-4-8(7-13-10)9(12)3-2-6-11;/h4-5,7,9H,2-3,6,11-12H2,1H3;1H/t9-;/m1./s1
InChIKeyXLFZBUJPAVPSRB-SBSPUUFOSA-N
MW231.73 g/mol
LogP1.25
Rot. Bonds5

About (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride

(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride (PubChem CID 171203596) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
PubChem CID171203596
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
SMILESCOc1ccc([C@H](N)CCCN)cn1.Cl
InChIInChI=1S/C10H17N3O.ClH/c1-14-10-5-4-8(7-13-10)9(12)3-2-6-11;/h4-5,7,9H,2-3,6,11-12H2,1H3;1H/t9-;/m1./s1
InChIKeyXLFZBUJPAVPSRB-SBSPUUFOSA-N
XLogP1.25
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
(1S)-1-(6-chloro-3-pyridinyl)butane-1,4-diamine
CID 171218298
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
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(3-bromo-4-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171205902
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride (CID 171203596) is (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride is COc1ccc([C@H](N)CCCN)cn1.Cl.
What is the InChIKey of (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride?
The InChIKey is XLFZBUJPAVPSRB-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H17N3O.ClH/c1-14-10-5-4-8(7-13-10)9(12)3-2-6-11;/h4-5,7,9H,2-3,6,11-12H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of 1.25, 5 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)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171203596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).