N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine

C17H27N3 — CID 81215409

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCCN1CCCC1CN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H27N3/c1-3-20-11-5-7-16(20)13-19(2)15-8-9-17-14(12-15)6-4-10-18-17/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3
InChIKeyMCDBUQJFZODVCH-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.97
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine (PubChem CID 81215409) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
PubChem CID81215409
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
SMILESCCN1CCCC1CN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H27N3/c1-3-20-11-5-7-16(20)13-19(2)15-8-9-17-14(12-15)6-4-10-18-17/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3
InChIKeyMCDBUQJFZODVCH-UHFFFAOYSA-N
XLogP2.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.97
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-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine (CID 81215409) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine is CCN1CCCC1CN(C)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine?
The InChIKey is MCDBUQJFZODVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-20-11-5-7-16(20)13-19(2)15-8-9-17-14(12-15)6-4-10-18-17/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine has a molecular weight of 273.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine is sourced from PubChem (CID 81215409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).