N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine

C13H24N4 — CID 83960493

IUPACN',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
SMILESCCN(CC)CCCCNCc1cnccn1
InChIInChI=1S/C13H24N4/c1-3-17(4-2)10-6-5-7-14-11-13-12-15-8-9-16-13/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyALQYNOMRLAPGEO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.69
Rot. Bonds9

About N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine

N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine (PubChem CID 83960493) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
PubChem CID83960493
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
SMILESCCN(CC)CCCCNCc1cnccn1
InChIInChI=1S/C13H24N4/c1-3-17(4-2)10-6-5-7-14-11-13-12-15-8-9-16-13/h8-9,12,14H,3-7,10-11H2,1-2H3
InChIKeyALQYNOMRLAPGEO-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 62762910
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
CID 106007760
N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
anisole;2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carboxylic acid
CID 161275558
N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 55204874
N,N-dimethyl-3-(pyrazin-2-ylmethylamino)propanamide
CID 62762015
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-[2-(pyrazin-2-ylmethylamino)ethyl]acetamide
CID 62763041
N,N,N',N'-tetrakis(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 71362661
3-(4-methylpiperidin-1-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762329

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine (CID 83960493) is N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine is CCN(CC)CCCCNCc1cnccn1.
What is the InChIKey of N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The InChIKey is ALQYNOMRLAPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17(4-2)10-6-5-7-14-11-13-12-15-8-9-16-13/h8-9,12,14H,3-7,10-11H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 83960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).