2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine

C17H31NO — CID 168909548

IUPAC2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine
SMILESCCC(C)=C/C=C(/OCC1CCCN1C)C(C)CC
InChIInChI=1S/C17H31NO/c1-6-14(3)10-11-17(15(4)7-2)19-13-16-9-8-12-18(16)5/h10-11,15-16H,6-9,12-13H2,1-5H3/b14-10?,17-11+
InChIKeyPFBOGTFQGGMEGC-HNDRHGLDSA-N
MW265.44 g/mol
LogP4.38
Rot. Bonds7

About 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine

2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine (PubChem CID 168909548) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine
PubChem CID168909548
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine
SMILESCCC(C)=C/C=C(/OCC1CCCN1C)C(C)CC
InChIInChI=1S/C17H31NO/c1-6-14(3)10-11-17(15(4)7-2)19-13-16-9-8-12-18(16)5/h10-11,15-16H,6-9,12-13H2,1-5H3/b14-10?,17-11+
InChIKeyPFBOGTFQGGMEGC-HNDRHGLDSA-N
XLogP4.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(5R)-5-[(E)-but-1-enyl]-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
CID 135001583
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine
CID 143976883
(4E,6Z,8E)-1,4,9-trimethyl-3,3a,11,11a-tetrahydro-2H-oxecino[3,4-b]pyrrole
CID 144396247
(2S)-1-methyl-2-[(6-methylcyclohexen-1-yl)oxymethyl]pyrrolidine
CID 24796033
(2S)-2-[[(5R)-5-(2-ethylbut-1-enyl)-5-methylcyclopenten-1-yl]oxymethyl]-1-methylpyrrolidine
CID 24796035
(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 89305211
(2S)-1-methyl-2-[(5-methylcyclopenten-1-yl)oxymethyl]pyrrolidine
CID 101237424
(2S)-2-(cyclopenten-1-yloxymethyl)-1-methylpyrrolidine
CID 102396130
1-butyl-2-[[(2Z,4Z)-4-ethylhexa-2,4-dienoxy]methyl]pyrrolidine
CID 143435434
(4Z)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 163575208
(4E)-4-ethylidene-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 164129415

Frequently Asked Questions

What is the IUPAC name of 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine (CID 168909548) is 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine is CCC(C)=C/C=C(/OCC1CCCN1C)C(C)CC.
What is the InChIKey of 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine?
The InChIKey is PFBOGTFQGGMEGC-HNDRHGLDSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-14(3)10-11-17(15(4)7-2)19-13-16-9-8-12-18(16)5/h10-11,15-16H,6-9,12-13H2,1-5H3/b14-10?,17-11+.
What are the key properties of 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine?
2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine has a molecular weight of 265.44 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4E)-3,7-dimethylnona-4,6-dien-4-yl]oxymethyl]-1-methylpyrrolidine is sourced from PubChem (CID 168909548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).