3,6-diamino-4-methylhex-4-en-1-ol

C7H16N2O — CID 90890293

IUPAC3,6-diamino-4-methylhex-4-en-1-ol
SMILESCC(=CCN)C(N)CCO
InChIInChI=1S/C7H16N2O/c1-6(2-4-8)7(9)3-5-10/h2,7,10H,3-5,8-9H2,1H3
InChIKeyUCSDTCUYDWDRGV-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.40
Rot. Bonds4

About 3,6-diamino-4-methylhex-4-en-1-ol

3,6-diamino-4-methylhex-4-en-1-ol (PubChem CID 90890293) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3,6-diamino-4-methylhex-4-en-1-ol.

Molecular Properties

Compound Name3,6-diamino-4-methylhex-4-en-1-ol
PubChem CID90890293
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3,6-diamino-4-methylhex-4-en-1-ol
SMILESCC(=CCN)C(N)CCO
InChIInChI=1S/C7H16N2O/c1-6(2-4-8)7(9)3-5-10/h2,7,10H,3-5,8-9H2,1H3
InChIKeyUCSDTCUYDWDRGV-UHFFFAOYSA-N
XLogP-0.40
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-methylhex-4-en-1-ol?
The IUPAC name of 3,6-diamino-4-methylhex-4-en-1-ol (CID 90890293) is 3,6-diamino-4-methylhex-4-en-1-ol.
What is the SMILES notation for 3,6-diamino-4-methylhex-4-en-1-ol?
The canonical SMILES for 3,6-diamino-4-methylhex-4-en-1-ol is CC(=CCN)C(N)CCO.
What is the InChIKey of 3,6-diamino-4-methylhex-4-en-1-ol?
The InChIKey is UCSDTCUYDWDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2-4-8)7(9)3-5-10/h2,7,10H,3-5,8-9H2,1H3.
What are the key properties of 3,6-diamino-4-methylhex-4-en-1-ol?
3,6-diamino-4-methylhex-4-en-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-methylhex-4-en-1-ol is sourced from PubChem (CID 90890293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).