4,5-diamino-2-ethyl-4-methylpentan-1-ol

C8H20N2O — CID 56993586

IUPAC4,5-diamino-2-ethyl-4-methylpentan-1-ol
SMILESCCC(CO)CC(C)(N)CN
InChIInChI=1S/C8H20N2O/c1-3-7(5-11)4-8(2,10)6-9/h7,11H,3-6,9-10H2,1-2H3
InChIKeyWJHPXLAVFPWLIC-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.07
Rot. Bonds5

About 4,5-diamino-2-ethyl-4-methylpentan-1-ol

4,5-diamino-2-ethyl-4-methylpentan-1-ol (PubChem CID 56993586) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4,5-diamino-2-ethyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name4,5-diamino-2-ethyl-4-methylpentan-1-ol
PubChem CID56993586
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4,5-diamino-2-ethyl-4-methylpentan-1-ol
SMILESCCC(CO)CC(C)(N)CN
InChIInChI=1S/C8H20N2O/c1-3-7(5-11)4-8(2,10)6-9/h7,11H,3-6,9-10H2,1-2H3
InChIKeyWJHPXLAVFPWLIC-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-ethyl-4-methylpentan-1-ol?
The IUPAC name of 4,5-diamino-2-ethyl-4-methylpentan-1-ol (CID 56993586) is 4,5-diamino-2-ethyl-4-methylpentan-1-ol.
What is the SMILES notation for 4,5-diamino-2-ethyl-4-methylpentan-1-ol?
The canonical SMILES for 4,5-diamino-2-ethyl-4-methylpentan-1-ol is CCC(CO)CC(C)(N)CN.
What is the InChIKey of 4,5-diamino-2-ethyl-4-methylpentan-1-ol?
The InChIKey is WJHPXLAVFPWLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-7(5-11)4-8(2,10)6-9/h7,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4,5-diamino-2-ethyl-4-methylpentan-1-ol?
4,5-diamino-2-ethyl-4-methylpentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-ethyl-4-methylpentan-1-ol is sourced from PubChem (CID 56993586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).