N',2-diethylbutane-1,4-diamine

C8H20N2 — CID 81080470

IUPACN',2-diethylbutane-1,4-diamine
SMILESCCNCCC(CC)CN
InChIInChI=1S/C8H20N2/c1-3-8(7-9)5-6-10-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyVHURTVCGDZVWOD-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds6

About N',2-diethylbutane-1,4-diamine

N',2-diethylbutane-1,4-diamine (PubChem CID 81080470) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N',2-diethylbutane-1,4-diamine.

Molecular Properties

Compound NameN',2-diethylbutane-1,4-diamine
PubChem CID81080470
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN',2-diethylbutane-1,4-diamine
SMILESCCNCCC(CC)CN
InChIInChI=1S/C8H20N2/c1-3-8(7-9)5-6-10-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyVHURTVCGDZVWOD-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N'-propylbutane-1,4-diamine
CID 81080118
N,3-diethylpentan-1-amine;ethane
CID 145372093
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080353
2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520408
2-ethylpropane-1,3-diamine
CID 14499053
2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
2-ethyl-N'-(2-methylcyclopropyl)butane-1,4-diamine
CID 81080370
(2S)-2-ethylhexan-1-amine
CID 6999997
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
1-N,3-diethylpentane-1,4-diamine
CID 155203399
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821

Frequently Asked Questions

What is the IUPAC name of N',2-diethylbutane-1,4-diamine?
The IUPAC name of N',2-diethylbutane-1,4-diamine (CID 81080470) is N',2-diethylbutane-1,4-diamine.
What is the SMILES notation for N',2-diethylbutane-1,4-diamine?
The canonical SMILES for N',2-diethylbutane-1,4-diamine is CCNCCC(CC)CN.
What is the InChIKey of N',2-diethylbutane-1,4-diamine?
The InChIKey is VHURTVCGDZVWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-8(7-9)5-6-10-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of N',2-diethylbutane-1,4-diamine?
N',2-diethylbutane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethylbutane-1,4-diamine is sourced from PubChem (CID 81080470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).