1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine

C21H39N — CID 155322221

IUPAC1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine
SMILESC=C(CCCC(=C)N1CC(CC(C)C)CC1CCC)C(C)C
InChIInChI=1S/C21H39N/c1-8-10-21-14-20(13-16(2)3)15-22(21)19(7)12-9-11-18(6)17(4)5/h16-17,20-21H,6-15H2,1-5H3
InChIKeySJGLYHMVYDSQCN-UHFFFAOYSA-N
MW305.55 g/mol
LogP6.42
Rot. Bonds10

About 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine

1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine (PubChem CID 155322221) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine.

Molecular Properties

Compound Name1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine
PubChem CID155322221
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine
SMILESC=C(CCCC(=C)N1CC(CC(C)C)CC1CCC)C(C)C
InChIInChI=1S/C21H39N/c1-8-10-21-14-20(13-16(2)3)15-22(21)19(7)12-9-11-18(6)17(4)5/h16-17,20-21H,6-15H2,1-5H3
InChIKeySJGLYHMVYDSQCN-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine?
The IUPAC name of 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine (CID 155322221) is 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine.
What is the SMILES notation for 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine?
The canonical SMILES for 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine is C=C(CCCC(=C)N1CC(CC(C)C)CC1CCC)C(C)C.
What is the InChIKey of 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine?
The InChIKey is SJGLYHMVYDSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-8-10-21-14-20(13-16(2)3)15-22(21)19(7)12-9-11-18(6)17(4)5/h16-17,20-21H,6-15H2,1-5H3.
What are the key properties of 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine?
1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine has a molecular weight of 305.55 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-6-methylideneoct-1-en-2-yl)-4-(2-methylpropyl)-2-propylpyrrolidine is sourced from PubChem (CID 155322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).