N'-ethyl-N',2-dimethylbutane-1,4-diamine

C8H20N2 — CID 81079542

IUPACN'-ethyl-N',2-dimethylbutane-1,4-diamine
SMILESCCN(C)CCC(C)CN
InChIInChI=1S/C8H20N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-7,9H2,1-3H3
InChIKeyXIMKUWSDNMPOGO-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.92
Rot. Bonds5

About N'-ethyl-N',2-dimethylbutane-1,4-diamine

N'-ethyl-N',2-dimethylbutane-1,4-diamine (PubChem CID 81079542) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N'-ethyl-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N',2-dimethylbutane-1,4-diamine
PubChem CID81079542
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN'-ethyl-N',2-dimethylbutane-1,4-diamine
SMILESCCN(C)CCC(C)CN
InChIInChI=1S/C8H20N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-7,9H2,1-3H3
InChIKeyXIMKUWSDNMPOGO-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N',2-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 81080379
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
N'-[2-(dimethylamino)ethyl]-2-methyl-N'-propylbutane-1,4-diamine
CID 81080602
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-ethyl-N',2-dimethylbutane-1,4-diamine (CID 81079542) is N'-ethyl-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-ethyl-N',2-dimethylbutane-1,4-diamine is CCN(C)CCC(C)CN.
What is the InChIKey of N'-ethyl-N',2-dimethylbutane-1,4-diamine?
The InChIKey is XIMKUWSDNMPOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-10(3)6-5-8(2)7-9/h8H,4-7,9H2,1-3H3.
What are the key properties of N'-ethyl-N',2-dimethylbutane-1,4-diamine?
N'-ethyl-N',2-dimethylbutane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 81079542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).