10,10-diaminodecyl decanoate

C20H42N2O2 — CID 151831707

IUPAC10,10-diaminodecyl decanoate
SMILESCCCCCCCCCC(=O)OCCCCCCCCCC(N)N
InChIInChI=1S/C20H42N2O2/c1-2-3-4-5-7-11-14-17-20(23)24-18-15-12-9-6-8-10-13-16-19(21)22/h19H,2-18,21-22H2,1H3
InChIKeySEUKDUSQEJEYFT-UHFFFAOYSA-N
MW342.57 g/mol
LogP5.03
Rot. Bonds18

About 10,10-diaminodecyl decanoate

10,10-diaminodecyl decanoate (PubChem CID 151831707) has the molecular formula C20H42N2O2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 10,10-diaminodecyl decanoate.

Molecular Properties

Compound Name10,10-diaminodecyl decanoate
PubChem CID151831707
Molecular FormulaC20H42N2O2
Molecular Weight342.57 g/mol
Exact Mass342.32
IUPAC Name10,10-diaminodecyl decanoate
SMILESCCCCCCCCCC(=O)OCCCCCCCCCC(N)N
InChIInChI=1S/C20H42N2O2/c1-2-3-4-5-7-11-14-17-20(23)24-18-15-12-9-6-8-10-13-16-19(21)22/h19H,2-18,21-22H2,1H3
InChIKeySEUKDUSQEJEYFT-UHFFFAOYSA-N
XLogP5.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of 10,10-diaminodecyl decanoate?
The IUPAC name of 10,10-diaminodecyl decanoate (CID 151831707) is 10,10-diaminodecyl decanoate.
What is the SMILES notation for 10,10-diaminodecyl decanoate?
The canonical SMILES for 10,10-diaminodecyl decanoate is CCCCCCCCCC(=O)OCCCCCCCCCC(N)N.
What is the InChIKey of 10,10-diaminodecyl decanoate?
The InChIKey is SEUKDUSQEJEYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O2/c1-2-3-4-5-7-11-14-17-20(23)24-18-15-12-9-6-8-10-13-16-19(21)22/h19H,2-18,21-22H2,1H3.
What are the key properties of 10,10-diaminodecyl decanoate?
10,10-diaminodecyl decanoate has a molecular weight of 342.57 g/mol, XLogP of 5.03, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diaminodecyl decanoate is sourced from PubChem (CID 151831707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).