(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine

C13H25NO — CID 107010640

IUPAC(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine
SMILESC=CCCCC/C=C(\CCCN)COC
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-9-13(12-15-2)10-8-11-14/h3,9H,1,4-8,10-12,14H2,2H3/b13-9+
InChIKeyYAXFTKRTCBNXFH-UKTHLTGXSA-N
MW211.35 g/mol
LogP3.04
Rot. Bonds10

About (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine

(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine (PubChem CID 107010640) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine
PubChem CID107010640
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine
SMILESC=CCCCC/C=C(\CCCN)COC
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-9-13(12-15-2)10-8-11-14/h3,9H,1,4-8,10-12,14H2,2H3/b13-9+
InChIKeyYAXFTKRTCBNXFH-UKTHLTGXSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.04
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

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
(Z)-4-methoxyhept-5-en-1-amine
CID 89153850
[(4S)-4-methoxycyclohex-2-en-1-yl]methanamine
CID 89381392
2-[(1S)-4-methoxy-5-methylidenecyclopent-2-en-1-yl]ethanamine
CID 129253890
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
3-Cyclohex-2-en-1-yloxypentan-1-amine
CID 142274343
6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
CID 142407880
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471
(Z)-5-methoxy-3-(2-methoxypropyl)hex-3-en-1-amine
CID 155228105
(3Z)-5-methoxy-3-(2-methoxyethylidene)hexan-1-amine
CID 155228157
(Z)-4-(1-methoxyethyl)hex-4-en-2-amine
CID 163745738

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine?
The IUPAC name of (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine (CID 107010640) is (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine.
What is the SMILES notation for (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine?
The canonical SMILES for (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine is C=CCCCC/C=C(\CCCN)COC.
What is the InChIKey of (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine?
The InChIKey is YAXFTKRTCBNXFH-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-9-13(12-15-2)10-8-11-14/h3,9H,1,4-8,10-12,14H2,2H3/b13-9+.
What are the key properties of (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine?
(4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethyl)undeca-4,10-dien-1-amine is sourced from PubChem (CID 107010640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).