(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine

C13H25NO — CID 177319970

IUPAC(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
SMILESC/C=C(/C)O/C(=C/CC)CCCCNC
InChIInChI=1S/C13H25NO/c1-5-9-13(15-12(3)6-2)10-7-8-11-14-4/h6,9,14H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+
InChIKeyRBWXBBXPQMIYLA-HEBGLXOYSA-N
MW211.35 g/mol
LogP3.61
Rot. Bonds8

About (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine

(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine (PubChem CID 177319970) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine.

Molecular Properties

Compound Name(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
PubChem CID177319970
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
SMILESC/C=C(/C)O/C(=C/CC)CCCCNC
InChIInChI=1S/C13H25NO/c1-5-9-13(15-12(3)6-2)10-7-8-11-14-4/h6,9,14H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+
InChIKeyRBWXBBXPQMIYLA-HEBGLXOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fluoro-methyl-[8-(methylamino)non-3-en-4-yl]oxidanium
CID 123242401
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
CID 177319959
N,6-dimethyl-5-[(Z)-pent-2-en-2-yl]oxyhept-5-en-1-amine
CID 177320209
5-[(Z)-but-2-en-2-yl]oxy-N,6-dimethylhept-5-en-1-amine
CID 177320227
5-[(E)-but-2-en-2-yl]oxy-N-methylpentan-1-amine
CID 142001478
(2E)-7-methoxy-N-methylocta-2,7-dien-3-amine
CID 143087953

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine?
The IUPAC name of (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine (CID 177319970) is (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine.
What is the SMILES notation for (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine?
The canonical SMILES for (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine is C/C=C(/C)O/C(=C/CC)CCCCNC.
What is the InChIKey of (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine?
The InChIKey is RBWXBBXPQMIYLA-HEBGLXOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-9-13(15-12(3)6-2)10-7-8-11-14-4/h6,9,14H,5,7-8,10-11H2,1-4H3/b12-6-,13-9+.
What are the key properties of (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine?
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine is sourced from PubChem (CID 177319970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).