2-methoxydodec-11-en-5-amine

C13H27NO — CID 107012126

IUPAC2-methoxydodec-11-en-5-amine
SMILESC=CCCCCCC(N)CCC(C)OC
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-13(14)11-10-12(2)15-3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyQQCFNPZKTIUVTN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.27
Rot. Bonds10

About 2-methoxydodec-11-en-5-amine

2-methoxydodec-11-en-5-amine (PubChem CID 107012126) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methoxydodec-11-en-5-amine.

Molecular Properties

Compound Name2-methoxydodec-11-en-5-amine
PubChem CID107012126
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methoxydodec-11-en-5-amine
SMILESC=CCCCCCC(N)CCC(C)OC
InChIInChI=1S/C13H27NO/c1-4-5-6-7-8-9-13(14)11-10-12(2)15-3/h4,12-13H,1,5-11,14H2,2-3H3
InChIKeyQQCFNPZKTIUVTN-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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CID 10059639
Halaminol B
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azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
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4-(2,3-Dihydrofuran-2-yl)butan-2-amine
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(2S)-5-methoxyhept-6-en-2-amine
CID 89153968
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1-[(2S)-oxolan-2-yl]hex-5-en-3-amine
CID 167351449
1,4-Dimethoxyoct-7-en-2-amine
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5,8-Dimethoxyoct-7-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methoxydodec-11-en-5-amine?
The IUPAC name of 2-methoxydodec-11-en-5-amine (CID 107012126) is 2-methoxydodec-11-en-5-amine.
What is the SMILES notation for 2-methoxydodec-11-en-5-amine?
The canonical SMILES for 2-methoxydodec-11-en-5-amine is C=CCCCCCC(N)CCC(C)OC.
What is the InChIKey of 2-methoxydodec-11-en-5-amine?
The InChIKey is QQCFNPZKTIUVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-6-7-8-9-13(14)11-10-12(2)15-3/h4,12-13H,1,5-11,14H2,2-3H3.
What are the key properties of 2-methoxydodec-11-en-5-amine?
2-methoxydodec-11-en-5-amine has a molecular weight of 213.36 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxydodec-11-en-5-amine is sourced from PubChem (CID 107012126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).