N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

C12H21N3O — CID 106142213

IUPACN-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(NCC(C)(C)CCN)nc1
InChIInChI=1S/C12H21N3O/c1-12(2,6-7-13)9-15-11-5-4-10(16-3)8-14-11/h4-5,8H,6-7,9,13H2,1-3H3,(H,14,15)
InChIKeyYZAIABMHDOQQJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds6

About N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine

N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 106142213) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID106142213
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
SMILESCOc1ccc(NCC(C)(C)CCN)nc1
InChIInChI=1S/C12H21N3O/c1-12(2,6-7-13)9-15-11-5-4-10(16-3)8-14-11/h4-5,8H,6-7,9,13H2,1-3H3,(H,14,15)
InChIKeyYZAIABMHDOQQJY-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142088
1-N-(5-methoxy-2-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106504055
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
5-methoxy-N-propylpyridin-2-amine
CID 106503925
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
5-methoxy-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 107143616
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
N-(5-bromo-4-methyl-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142320
4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 106142001
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153195
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine (CID 106142213) is N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is COc1ccc(NCC(C)(C)CCN)nc1.
What is the InChIKey of N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is YZAIABMHDOQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,6-7-13)9-15-11-5-4-10(16-3)8-14-11/h4-5,8H,6-7,9,13H2,1-3H3,(H,14,15).
What are the key properties of N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine?
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 106142213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).