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

C16H25N3 — CID 81463756

IUPACN,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCC1CN(c2ccc3c(c2)CCCN3)CC1N(C)C
InChIInChI=1S/C16H25N3/c1-12-10-19(11-16(12)18(2)3)14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3
InChIKeyVIVMXGMWCNVHBN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.43
Rot. Bonds2

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

N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (PubChem CID 81463756) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
PubChem CID81463756
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
SMILESCC1CN(c2ccc3c(c2)CCCN3)CC1N(C)C
InChIInChI=1S/C16H25N3/c1-12-10-19(11-16(12)18(2)3)14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3
InChIKeyVIVMXGMWCNVHBN-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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

6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
2,5-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81214490
7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 79677091
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 81197078
2-methyl-4-(1,2,3,4-tetrahydroquinolin-7-yl)morpholine
CID 81214763
7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214534
5-ethyl-2-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)morpholine
CID 81215510
7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215314
2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677672
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine (CID 81463756) is N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is CC1CN(c2ccc3c(c2)CCCN3)CC1N(C)C.
What is the InChIKey of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
The InChIKey is VIVMXGMWCNVHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12-10-19(11-16(12)18(2)3)14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,12,16-17H,4-5,8,10-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine?
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine is sourced from PubChem (CID 81463756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).