3,4-diamino-4-methylpentan-1-ol

C6H16N2O — CID 21459563

IUPAC3,4-diamino-4-methylpentan-1-ol
SMILESCC(C)(N)C(N)CCO
InChIInChI=1S/C6H16N2O/c1-6(2,8)5(7)3-4-9/h5,9H,3-4,7-8H2,1-2H3
InChIKeyQKSVDTPXMZTXIK-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.57
Rot. Bonds3

About 3,4-diamino-4-methylpentan-1-ol

3,4-diamino-4-methylpentan-1-ol (PubChem CID 21459563) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3,4-diamino-4-methylpentan-1-ol.

Molecular Properties

Compound Name3,4-diamino-4-methylpentan-1-ol
PubChem CID21459563
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3,4-diamino-4-methylpentan-1-ol
SMILESCC(C)(N)C(N)CCO
InChIInChI=1S/C6H16N2O/c1-6(2,8)5(7)3-4-9/h5,9H,3-4,7-8H2,1-2H3
InChIKeyQKSVDTPXMZTXIK-UHFFFAOYSA-N
XLogP-0.57
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-4-methylpentan-1-ol?
The IUPAC name of 3,4-diamino-4-methylpentan-1-ol (CID 21459563) is 3,4-diamino-4-methylpentan-1-ol.
What is the SMILES notation for 3,4-diamino-4-methylpentan-1-ol?
The canonical SMILES for 3,4-diamino-4-methylpentan-1-ol is CC(C)(N)C(N)CCO.
What is the InChIKey of 3,4-diamino-4-methylpentan-1-ol?
The InChIKey is QKSVDTPXMZTXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(2,8)5(7)3-4-9/h5,9H,3-4,7-8H2,1-2H3.
What are the key properties of 3,4-diamino-4-methylpentan-1-ol?
3,4-diamino-4-methylpentan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-4-methylpentan-1-ol is sourced from PubChem (CID 21459563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).