(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine

C15H27NO — CID 166682718

IUPAC(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine
SMILESCCC(/C=C\C(=C/N)C1CCOCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-4-13(12(2)3)5-6-15(11-16)14-7-9-17-10-8-14/h5-6,11-14H,4,7-10,16H2,1-3H3/b6-5-,15-11+
InChIKeyRSASHDUBCNEFSL-UXNHMYCNSA-N
MW237.39 g/mol
LogP3.49
Rot. Bonds5

About (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine

(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine (PubChem CID 166682718) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine
PubChem CID166682718
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine
SMILESCCC(/C=C\C(=C/N)C1CCOCC1)C(C)C
InChIInChI=1S/C15H27NO/c1-4-13(12(2)3)5-6-15(11-16)14-7-9-17-10-8-14/h5-6,11-14H,4,7-10,16H2,1-3H3/b6-5-,15-11+
InChIKeyRSASHDUBCNEFSL-UXNHMYCNSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine (CID 166682718) is (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine is CCC(/C=C\C(=C/N)C1CCOCC1)C(C)C.
What is the InChIKey of (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine?
The InChIKey is RSASHDUBCNEFSL-UXNHMYCNSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-13(12(2)3)5-6-15(11-16)14-7-9-17-10-8-14/h5-6,11-14H,4,7-10,16H2,1-3H3/b6-5-,15-11+.
What are the key properties of (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine?
(1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-ethyl-6-methyl-2-(oxan-4-yl)hepta-1,3-dien-1-amine is sourced from PubChem (CID 166682718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).