2-aminododec-8-en-3-yl acetate

C14H27NO2 — CID 163107769

IUPAC2-aminododec-8-en-3-yl acetate
SMILESCCCC=CCCCCC(OC(C)=O)C(C)N
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(12(2)15)17-13(3)16/h6-7,12,14H,4-5,8-11,15H2,1-3H3
InChIKeyCBOFPIBXDPMNTN-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.18
Rot. Bonds9

About 2-aminododec-8-en-3-yl acetate

2-aminododec-8-en-3-yl acetate (PubChem CID 163107769) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-aminododec-8-en-3-yl acetate.

Molecular Properties

Compound Name2-aminododec-8-en-3-yl acetate
PubChem CID163107769
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-aminododec-8-en-3-yl acetate
SMILESCCCC=CCCCCC(OC(C)=O)C(C)N
InChIInChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(12(2)15)17-13(3)16/h6-7,12,14H,4-5,8-11,15H2,1-3H3
InChIKeyCBOFPIBXDPMNTN-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,5E,9Z)-2-aminohexadeca-5,9-dien-3-yl] acetate
CID 102043855
tetradec-10-en-5-yl acetate
CID 54019946
methyl (2S,3S)-3-acetyloxy-2-tetradecyloctadec-11-enoate
CID 162959181
methyl (Z,2R)-2-[(1S)-1-acetyloxyhexadecyl]octadec-9-enoate
CID 162960576
methyl 3-acetyloxy-2-dodecyloctadec-11-enoate
CID 163036755
1,2-dihydroxyhenicos-12-en-3-yl acetate
CID 173087659
[(Z,2R)-heptadec-8-en-2-yl] acetate
CID 66573257
icos-13-en-10-yl acetate
CID 175361590
[(E)-pentacos-11-en-8-yl] acetate
CID 126648537
9,12,13-triacetyloxyoctadec-3-enoic acid
CID 173142572
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
[(2R)-tridec-10-en-2-yl] acetate
CID 173369884

Frequently Asked Questions

What is the IUPAC name of 2-aminododec-8-en-3-yl acetate?
The IUPAC name of 2-aminododec-8-en-3-yl acetate (CID 163107769) is 2-aminododec-8-en-3-yl acetate.
What is the SMILES notation for 2-aminododec-8-en-3-yl acetate?
The canonical SMILES for 2-aminododec-8-en-3-yl acetate is CCCC=CCCCCC(OC(C)=O)C(C)N.
What is the InChIKey of 2-aminododec-8-en-3-yl acetate?
The InChIKey is CBOFPIBXDPMNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-6-7-8-9-10-11-14(12(2)15)17-13(3)16/h6-7,12,14H,4-5,8-11,15H2,1-3H3.
What are the key properties of 2-aminododec-8-en-3-yl acetate?
2-aminododec-8-en-3-yl acetate has a molecular weight of 241.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminododec-8-en-3-yl acetate is sourced from PubChem (CID 163107769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).