5-amino-4,6-diiminodecan-5-ol

C10H21N3O — CID 163772694

IUPAC5-amino-4,6-diiminodecan-5-ol
SMILES[H]/N=C(\CCC)C(N)(O)/C(CCCC)=N/[H]
InChIInChI=1S/C10H21N3O/c1-3-5-7-9(12)10(13,14)8(11)6-4-2/h11-12,14H,3-7,13H2,1-2H3/b11-8+,12-9+
InChIKeyMHUIKBQSHSCEQS-HZOWPXDZSA-N
MW199.30 g/mol
LogP1.66
Rot. Bonds7

About 5-amino-4,6-diiminodecan-5-ol

5-amino-4,6-diiminodecan-5-ol (PubChem CID 163772694) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-amino-4,6-diiminodecan-5-ol.

Molecular Properties

Compound Name5-amino-4,6-diiminodecan-5-ol
PubChem CID163772694
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-amino-4,6-diiminodecan-5-ol
SMILES[H]/N=C(\CCC)C(N)(O)/C(CCCC)=N/[H]
InChIInChI=1S/C10H21N3O/c1-3-5-7-9(12)10(13,14)8(11)6-4-2/h11-12,14H,3-7,13H2,1-2H3/b11-8+,12-9+
InChIKeyMHUIKBQSHSCEQS-HZOWPXDZSA-N
XLogP1.66
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,6-diiminodecan-5-ol?
The IUPAC name of 5-amino-4,6-diiminodecan-5-ol (CID 163772694) is 5-amino-4,6-diiminodecan-5-ol.
What is the SMILES notation for 5-amino-4,6-diiminodecan-5-ol?
The canonical SMILES for 5-amino-4,6-diiminodecan-5-ol is [H]/N=C(\CCC)C(N)(O)/C(CCCC)=N/[H].
What is the InChIKey of 5-amino-4,6-diiminodecan-5-ol?
The InChIKey is MHUIKBQSHSCEQS-HZOWPXDZSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-5-7-9(12)10(13,14)8(11)6-4-2/h11-12,14H,3-7,13H2,1-2H3/b11-8+,12-9+.
What are the key properties of 5-amino-4,6-diiminodecan-5-ol?
5-amino-4,6-diiminodecan-5-ol has a molecular weight of 199.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-diiminodecan-5-ol is sourced from PubChem (CID 163772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).