10,10-diaminodecan-5-one

C10H22N2O — CID 87142350

IUPAC10,10-diaminodecan-5-one
SMILESCCCCC(=O)CCCCC(N)N
InChIInChI=1S/C10H22N2O/c1-2-3-6-9(13)7-4-5-8-10(11)12/h10H,2-8,11-12H2,1H3
InChIKeyBKXJRUJPYCSKFI-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.55
Rot. Bonds8

About 10,10-diaminodecan-5-one

10,10-diaminodecan-5-one (PubChem CID 87142350) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 10,10-diaminodecan-5-one.

Molecular Properties

Compound Name10,10-diaminodecan-5-one
PubChem CID87142350
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name10,10-diaminodecan-5-one
SMILESCCCCC(=O)CCCCC(N)N
InChIInChI=1S/C10H22N2O/c1-2-3-6-9(13)7-4-5-8-10(11)12/h10H,2-8,11-12H2,1H3
InChIKeyBKXJRUJPYCSKFI-UHFFFAOYSA-N
XLogP1.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

1-amino-4-oxooctane-1-sulfonic acid
CID 151138652
2-aminoundecan-6-one
CID 116610207
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
23-dodecylpentatriacontan-12-one
CID 140659228
35-methylhexatriacontan-18-one
CID 154265958
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
10,10-diaminodecyl decanoate
CID 151831707
pentacosan-7-one
CID 54551687
nonatriacontane-8,29-dione
CID 150237018
pentacosane-7,19-dione
CID 139254510
hexane-1,1-diamine;hydrobromide
CID 141245501

Frequently Asked Questions

What is the IUPAC name of 10,10-diaminodecan-5-one?
The IUPAC name of 10,10-diaminodecan-5-one (CID 87142350) is 10,10-diaminodecan-5-one.
What is the SMILES notation for 10,10-diaminodecan-5-one?
The canonical SMILES for 10,10-diaminodecan-5-one is CCCCC(=O)CCCCC(N)N.
What is the InChIKey of 10,10-diaminodecan-5-one?
The InChIKey is BKXJRUJPYCSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-6-9(13)7-4-5-8-10(11)12/h10H,2-8,11-12H2,1H3.
What are the key properties of 10,10-diaminodecan-5-one?
10,10-diaminodecan-5-one has a molecular weight of 186.30 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diaminodecan-5-one is sourced from PubChem (CID 87142350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).