1,4-diamino-2,2,4-trimethylpentan-1-ol

C8H20N2O — CID 23373396

IUPAC1,4-diamino-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(N)CC(C)(C)C(N)O
InChIInChI=1S/C8H20N2O/c1-7(2,6(9)11)5-8(3,4)10/h6,11H,5,9-10H2,1-4H3
InChIKeyTWMLOSUXVBDPGK-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.42
Rot. Bonds3

About 1,4-diamino-2,2,4-trimethylpentan-1-ol

1,4-diamino-2,2,4-trimethylpentan-1-ol (PubChem CID 23373396) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,4-diamino-2,2,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name1,4-diamino-2,2,4-trimethylpentan-1-ol
PubChem CID23373396
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1,4-diamino-2,2,4-trimethylpentan-1-ol
SMILESCC(C)(N)CC(C)(C)C(N)O
InChIInChI=1S/C8H20N2O/c1-7(2,6(9)11)5-8(3,4)10/h6,11H,5,9-10H2,1-4H3
InChIKeyTWMLOSUXVBDPGK-UHFFFAOYSA-N
XLogP0.42
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diamino-2,2,4-trimethylpentan-1-ol?
The IUPAC name of 1,4-diamino-2,2,4-trimethylpentan-1-ol (CID 23373396) is 1,4-diamino-2,2,4-trimethylpentan-1-ol.
What is the SMILES notation for 1,4-diamino-2,2,4-trimethylpentan-1-ol?
The canonical SMILES for 1,4-diamino-2,2,4-trimethylpentan-1-ol is CC(C)(N)CC(C)(C)C(N)O.
What is the InChIKey of 1,4-diamino-2,2,4-trimethylpentan-1-ol?
The InChIKey is TWMLOSUXVBDPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(2,6(9)11)5-8(3,4)10/h6,11H,5,9-10H2,1-4H3.
What are the key properties of 1,4-diamino-2,2,4-trimethylpentan-1-ol?
1,4-diamino-2,2,4-trimethylpentan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diamino-2,2,4-trimethylpentan-1-ol is sourced from PubChem (CID 23373396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).