6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline

C18H24N2 — CID 104688379

IUPAC6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
SMILESCC(C)CC1(Cc2ccc3ncccc3c2)CCCN1
InChIInChI=1S/C18H24N2/c1-14(2)12-18(8-4-10-20-18)13-15-6-7-17-16(11-15)5-3-9-19-17/h3,5-7,9,11,14,20H,4,8,10,12-13H2,1-2H3
InChIKeyCFDPYNJETITTRX-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.95
Rot. Bonds4

About 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline

6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline (PubChem CID 104688379) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
PubChem CID104688379
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline
SMILESCC(C)CC1(Cc2ccc3ncccc3c2)CCCN1
InChIInChI=1S/C18H24N2/c1-14(2)12-18(8-4-10-20-18)13-15-6-7-17-16(11-15)5-3-9-19-17/h3,5-7,9,11,14,20H,4,8,10,12-13H2,1-2H3
InChIKeyCFDPYNJETITTRX-UHFFFAOYSA-N
XLogP3.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-(quinolin-6-ylmethyl)pyrrolidin-2-one
CID 104687440
1-methyl-2-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]imidazole
CID 79761396
[1-(quinolin-6-ylmethyl)cyclopropyl]methanamine
CID 116997369
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
2-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)azetidine
CID 115058809
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
1-methyl-3-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrazole
CID 82878266
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438
2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688440
6-(4-methylpent-2-ynyl)quinoline
CID 144911863
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline?
The IUPAC name of 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline (CID 104688379) is 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline is CC(C)CC1(Cc2ccc3ncccc3c2)CCCN1.
What is the InChIKey of 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline?
The InChIKey is CFDPYNJETITTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)12-18(8-4-10-20-18)13-15-6-7-17-16(11-15)5-3-9-19-17/h3,5-7,9,11,14,20H,4,8,10,12-13H2,1-2H3.
What are the key properties of 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline?
6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline has a molecular weight of 268.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methylpropyl)pyrrolidin-2-yl]methyl]quinoline is sourced from PubChem (CID 104688379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).