1,6-diimino-5-methylheptan-4-ol

C8H16N2O — CID 139998909

IUPAC1,6-diimino-5-methylheptan-4-ol
SMILES[H]/N=C/CCC(O)C(C)/C(C)=N/[H]
InChIInChI=1S/C8H16N2O/c1-6(7(2)10)8(11)4-3-5-9/h5-6,8-11H,3-4H2,1-2H3/b9-5+,10-7+
InChIKeyCAXMUVWNKKOTRU-FWMCCXIMSA-N
MW156.23 g/mol
LogP1.45
Rot. Bonds5

About 1,6-diimino-5-methylheptan-4-ol

1,6-diimino-5-methylheptan-4-ol (PubChem CID 139998909) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,6-diimino-5-methylheptan-4-ol.

Molecular Properties

Compound Name1,6-diimino-5-methylheptan-4-ol
PubChem CID139998909
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,6-diimino-5-methylheptan-4-ol
SMILES[H]/N=C/CCC(O)C(C)/C(C)=N/[H]
InChIInChI=1S/C8H16N2O/c1-6(7(2)10)8(11)4-3-5-9/h5-6,8-11H,3-4H2,1-2H3/b9-5+,10-7+
InChIKeyCAXMUVWNKKOTRU-FWMCCXIMSA-N
XLogP1.45
TPSA67.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-diimino-5-methylheptan-4-ol?
The IUPAC name of 1,6-diimino-5-methylheptan-4-ol (CID 139998909) is 1,6-diimino-5-methylheptan-4-ol.
What is the SMILES notation for 1,6-diimino-5-methylheptan-4-ol?
The canonical SMILES for 1,6-diimino-5-methylheptan-4-ol is [H]/N=C/CCC(O)C(C)/C(C)=N/[H].
What is the InChIKey of 1,6-diimino-5-methylheptan-4-ol?
The InChIKey is CAXMUVWNKKOTRU-FWMCCXIMSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(7(2)10)8(11)4-3-5-9/h5-6,8-11H,3-4H2,1-2H3/b9-5+,10-7+.
What are the key properties of 1,6-diimino-5-methylheptan-4-ol?
1,6-diimino-5-methylheptan-4-ol has a molecular weight of 156.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diimino-5-methylheptan-4-ol is sourced from PubChem (CID 139998909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).