1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine

C14H25N — CID 5373916

IUPAC1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine
SMILESCC/C=C(\C=C(/C)CCC)N1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3/b13-12+,14-9+
InChIKeyAFASVMHMEYBDKE-WIVVVKQNSA-N
MW207.36 g/mol
LogP4.12
Rot. Bonds5

About 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine

1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine (PubChem CID 5373916) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine
PubChem CID5373916
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine
SMILESCC/C=C(\C=C(/C)CCC)N1CCCC1
InChIInChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3/b13-12+,14-9+
InChIKeyAFASVMHMEYBDKE-WIVVVKQNSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hept-3-en-4-ylpyrrolidine
CID 68591319
(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
CID 177223308
(E)-N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylhex-2-enamide
CID 176958854
1-[(E)-hex-2-en-2-yl]pyrrolidine
CID 18511196
2-piperidin-1-ylhex-2-enal
CID 74024163
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
CID 101023256
1-piperidin-1-ylethanone;propanal
CID 178173122
(2E)-3-methyl-1-pyrrolidin-1-ylhepta-2,6-diene-1-thione
CID 12624379
4-[(E)-hept-3-en-4-yl]morpholine
CID 6513160
ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
CID 143436314

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine?
The IUPAC name of 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine (CID 5373916) is 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine.
What is the SMILES notation for 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine?
The canonical SMILES for 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine is CC/C=C(\C=C(/C)CCC)N1CCCC1.
What is the InChIKey of 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine?
The InChIKey is AFASVMHMEYBDKE-WIVVVKQNSA-N. The full InChI is InChI=1S/C14H25N/c1-4-8-13(3)12-14(9-5-2)15-10-6-7-11-15/h9,12H,4-8,10-11H2,1-3H3/b13-12+,14-9+.
What are the key properties of 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine?
1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine is sourced from PubChem (CID 5373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).