N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine

C13H24N4O — CID 114149316

IUPACN-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCOc1cncc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C13H24N4O/c1-4-18-12-9-15-8-11(17-12)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,16,17)
InChIKeyYZGAMCXQPLJFOR-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds8

About N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine

N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 114149316) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
PubChem CID114149316
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCOc1cncc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C13H24N4O/c1-4-18-12-9-15-8-11(17-12)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,16,17)
InChIKeyYZGAMCXQPLJFOR-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(6-ethoxypyrazin-2-yl)pentane-1,5-diamine
CID 107323521
N-[3-(2-aminoethoxy)propyl]-6-ethoxypyrazin-2-amine
CID 106308549
3-N-(6-ethoxypyrazin-2-yl)butane-1,3-diamine
CID 83179069
(6-ethoxypyrazin-2-yl)methanamine
CID 66450583
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
(6-ethoxypyrazin-2-yl)thiourea
CID 90714777
N-(5-chloro-2,2-dimethylpentyl)-6-ethoxypyrimidin-4-amine
CID 106142050
2,2-diethyl-N'-(6-methoxypyrazin-2-yl)propane-1,3-diamine
CID 106251654
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
2-(6-ethoxypyrazin-2-yl)propan-2-amine
CID 130545214
2-N-(6-ethoxypyrazin-2-yl)-3-methoxypropane-1,2-diamine
CID 106182379
(2R,4R)-5-[(6-ethoxypyrazin-2-yl)amino]-4-methylpentan-2-ol
CID 124741988

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine (CID 114149316) is N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine is CCOc1cncc(NCC(C)(C)CCCN)n1.
What is the InChIKey of N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is YZGAMCXQPLJFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-18-12-9-15-8-11(17-12)16-10-13(2,3)6-5-7-14/h8-9H,4-7,10,14H2,1-3H3,(H,16,17).
What are the key properties of N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine?
N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyrazin-2-yl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 114149316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).