N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine

C16H25N3 — CID 81215544

IUPACN,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCC1CCc2cc(N3CCC(N(C)C)C3)ccc2N1
InChIInChI=1S/C16H25N3/c1-12-4-5-13-10-14(6-7-16(13)17-12)19-9-8-15(11-19)18(2)3/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyROTDWEZWQCTWHK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.57
Rot. Bonds2

About N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine

N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (PubChem CID 81215544) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
PubChem CID81215544
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCC1CCc2cc(N3CCC(N(C)C)C3)ccc2N1
InChIInChI=1S/C16H25N3/c1-12-4-5-13-10-14(6-7-16(13)17-12)19-9-8-15(11-19)18(2)3/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyROTDWEZWQCTWHK-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81218412
6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 103534198
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496417
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215343
2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81218537
2,2,6-trimethyl-4-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215382
1-(3-amino-4-methylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164363
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
2,7-bis[3-(dimethylamino)pyrrolidin-1-yl]fluoren-9-one;dihydrochloride
CID 67164499
6-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 81218003
2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-1,2,3,4-tetrahydroquinoline
CID 81223986
(3R)-1-(3-iodo-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 166150000

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (CID 81215544) is N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is CC1CCc2cc(N3CCC(N(C)C)C3)ccc2N1.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The InChIKey is ROTDWEZWQCTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-4-5-13-10-14(6-7-16(13)17-12)19-9-8-15(11-19)18(2)3/h6-7,10,12,15,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is sourced from PubChem (CID 81215544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).