[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine

C13H23NO — CID 129015898

IUPAC[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
SMILESC/C=C1C(=C/CCCC)\CCOC\1CN
InChIInChI=1S/C13H23NO/c1-3-5-6-7-11-8-9-15-13(10-14)12(11)4-2/h4,7,13H,3,5-6,8-10,14H2,1-2H3/b11-7-,12-4+
InChIKeyVWSJEOWYZOTBCS-ZJVGSOJOSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds4

About [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine

[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine (PubChem CID 129015898) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine.

Molecular Properties

Compound Name[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
PubChem CID129015898
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine
SMILESC/C=C1C(=C/CCCC)\CCOC\1CN
InChIInChI=1S/C13H23NO/c1-3-5-6-7-11-8-9-15-13(10-14)12(11)4-2/h4,7,13H,3,5-6,8-10,14H2,1-2H3/b11-7-,12-4+
InChIKeyVWSJEOWYZOTBCS-ZJVGSOJOSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,6S)-6-[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408179
1-(5,7-dimethyl-1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)-N-methylmethanamine
CID 89532756
1,3,4,6-Tetrahydrocyclopenta[c]pyran-1-ylmethanamine
CID 89532757
(5,7-Dimethyl-1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)methanamine
CID 89532758
N-methyl-1-(1,3,4,6-tetrahydrocyclopenta[c]pyran-1-yl)methanamine
CID 89532761
[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]methanamine
CID 129015888
6-(aminomethyl)-4-[(Z)-pent-2-en-3-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 129015895
1-[(4Z)-4-hexan-2-ylidene-3-propan-2-ylideneoxan-2-yl]-N-methylmethanamine
CID 129015945
(6S)-6-(aminomethyl)-4-[(Z)-but-2-en-2-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 129016110
[4-[(Z)-2-ethyl-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 129016189
[(2S,6R)-6-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]oxan-2-yl]methanamine
CID 129191872
[(4Z)-4-ethylidene-5-methylideneoxolan-2-yl]methanamine
CID 130191118

Frequently Asked Questions

What is the IUPAC name of [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine?
The IUPAC name of [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine (CID 129015898) is [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine.
What is the SMILES notation for [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine?
The canonical SMILES for [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine is C/C=C1C(=C/CCCC)\CCOC\1CN.
What is the InChIKey of [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine?
The InChIKey is VWSJEOWYZOTBCS-ZJVGSOJOSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-7-11-8-9-15-13(10-14)12(11)4-2/h4,7,13H,3,5-6,8-10,14H2,1-2H3/b11-7-,12-4+.
What are the key properties of [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine?
[(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,4Z)-3-ethylidene-4-pentylideneoxan-2-yl]methanamine is sourced from PubChem (CID 129015898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).