(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine

C17H23N3 — CID 97223040

IUPAC(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
SMILESC[C@@H]1CN(C)C[C@@H]1NCCc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-13-11-20(2)12-16(13)18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18H,8,10-12H2,1-2H3/t13-,16+/m1/s1
InChIKeySSOQXIHJPYJZQL-CJNGLKHVSA-N
MW269.39 g/mol
LogP2.32
Rot. Bonds4

About (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine

(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine (PubChem CID 97223040) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
PubChem CID97223040
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
SMILESC[C@@H]1CN(C)C[C@@H]1NCCc1cccc2cccnc12
InChIInChI=1S/C17H23N3/c1-13-11-20(2)12-16(13)18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18H,8,10-12H2,1-2H3/t13-,16+/m1/s1
InChIKeySSOQXIHJPYJZQL-CJNGLKHVSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81428785
trans-(1R,2R)-2-(2-quinolin-8-ylethylamino)cyclopentan-1-ol
CID 102733860
2-ethyl-N-(2-quinolin-8-ylethyl)cyclopentan-1-amine
CID 115708839
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-(aminomethyl)-N-(2-quinolin-8-ylethyl)cyclohexan-1-amine
CID 81427255
N-propyl-1-(2-quinolin-8-ylethyl)pyrrolidin-3-amine
CID 81428007
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
N-(2-quinolin-8-ylethyl)thian-4-amine
CID 112727581
1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine (CID 97223040) is (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine is C[C@@H]1CN(C)C[C@@H]1NCCc1cccc2cccnc12.
What is the InChIKey of (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine?
The InChIKey is SSOQXIHJPYJZQL-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-11-20(2)12-16(13)18-10-8-15-6-3-5-14-7-4-9-19-17(14)15/h3-7,9,13,16,18H,8,10-12H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine?
(3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine has a molecular weight of 269.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,4-dimethyl-N-(2-quinolin-8-ylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 97223040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).