4,5-diaminodecan-5-ol

C10H24N2O — CID 155745471

IUPAC4,5-diaminodecan-5-ol
SMILESCCCCCC(N)(O)C(N)CCC
InChIInChI=1S/C10H24N2O/c1-3-5-6-8-10(12,13)9(11)7-4-2/h9,13H,3-8,11-12H2,1-2H3
InChIKeyVSHVVMCAEXEQGK-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.34
Rot. Bonds7

About 4,5-diaminodecan-5-ol

4,5-diaminodecan-5-ol (PubChem CID 155745471) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4,5-diaminodecan-5-ol.

Molecular Properties

Compound Name4,5-diaminodecan-5-ol
PubChem CID155745471
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4,5-diaminodecan-5-ol
SMILESCCCCCC(N)(O)C(N)CCC
InChIInChI=1S/C10H24N2O/c1-3-5-6-8-10(12,13)9(11)7-4-2/h9,13H,3-8,11-12H2,1-2H3
InChIKeyVSHVVMCAEXEQGK-UHFFFAOYSA-N
XLogP1.34
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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15-tetradecyltriacontane-15,16-diamine
CID 129286411
1,1-diaminooctan-1-ol
CID 20507531
1-aminoundecane-1,1-diol
CID 21111671
2,2,3-trimethylheptane-3,4-diamine
CID 23202047
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
4-aminoheptane-1,3,3-triol
CID 140684101
2-aminodecane-3,3-diol
CID 146523867
6-ethylundecan-6-amine
CID 173250227

Frequently Asked Questions

What is the IUPAC name of 4,5-diaminodecan-5-ol?
The IUPAC name of 4,5-diaminodecan-5-ol (CID 155745471) is 4,5-diaminodecan-5-ol.
What is the SMILES notation for 4,5-diaminodecan-5-ol?
The canonical SMILES for 4,5-diaminodecan-5-ol is CCCCCC(N)(O)C(N)CCC.
What is the InChIKey of 4,5-diaminodecan-5-ol?
The InChIKey is VSHVVMCAEXEQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-5-6-8-10(12,13)9(11)7-4-2/h9,13H,3-8,11-12H2,1-2H3.
What are the key properties of 4,5-diaminodecan-5-ol?
4,5-diaminodecan-5-ol has a molecular weight of 188.31 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diaminodecan-5-ol is sourced from PubChem (CID 155745471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).