5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine

C13H25NO — CID 177319959

IUPAC5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
SMILESCC/C=C\OC(CCCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-5-6-11-15-13(12(2)3)9-7-8-10-14-4/h6,11,14H,5,7-10H2,1-4H3/b11-6-
InChIKeyQSTHEHXTNJUAGX-WDZFZDKYSA-N
MW211.35 g/mol
LogP3.61
Rot. Bonds8

About 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine

5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine (PubChem CID 177319959) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
PubChem CID177319959
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine
SMILESCC/C=C\OC(CCCCNC)=C(C)C
InChIInChI=1S/C13H25NO/c1-5-6-11-15-13(12(2)3)9-7-8-10-14-4/h6,11,14H,5,7-10H2,1-4H3/b11-6-
InChIKeyQSTHEHXTNJUAGX-WDZFZDKYSA-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

1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
1-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 123390807
ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
CID 143806682
(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine
CID 155746533
3-[(1S,4Z,8E)-9-ethoxycyclonona-4,8-dien-2-yn-1-yl]-N-methylpropan-1-amine
CID 166840794
2-[(1Z,4Z)-2-methoxycyclonona-1,4,7-trien-1-yl]-N-methylethanamine
CID 173854169
(E)-6-methoxy-N-methylnon-6-en-1-amine
CID 174273360
5-[(Z)-but-1-enoxy]-6-methylhept-5-en-1-amine
CID 177319853
4-[(Z)-but-1-enoxy]-N,5-dimethylhex-4-en-1-amine
CID 177319942
(E)-5-[(Z)-but-2-en-2-yl]oxy-N-methyloct-5-en-1-amine
CID 177319970
6-methyl-5-[(Z)-prop-1-enoxy]hept-5-en-1-amine
CID 177320019
N-methyl-3-(3-methyl-4,5-dihydrooxepin-2-yl)propan-1-amine
CID 177320182

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine?
The IUPAC name of 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine (CID 177319959) is 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine.
What is the SMILES notation for 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine?
The canonical SMILES for 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine is CC/C=C\OC(CCCCNC)=C(C)C.
What is the InChIKey of 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine?
The InChIKey is QSTHEHXTNJUAGX-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-11-15-13(12(2)3)9-7-8-10-14-4/h6,11,14H,5,7-10H2,1-4H3/b11-6-.
What are the key properties of 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine?
5-[(Z)-but-1-enoxy]-N,6-dimethylhept-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 5-[(Z)-but-1-enoxy]-N,6-dimethylhept-5-en-1-amine is sourced from PubChem (CID 177319959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).