N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine

C14H23N3 — CID 81214955

IUPACN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H23N3/c1-16(2)9-10-17(3)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyLZVDJWMRGGMIGW-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds4

About N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine (PubChem CID 81214955) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
PubChem CID81214955
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H23N3/c1-16(2)9-10-17(3)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyLZVDJWMRGGMIGW-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.04
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,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-7-yl)ethane-1,2-diamine
CID 81215028
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
N-ethyl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215271
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215327
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215409
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215543
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282
N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215496
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215098
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215036
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine (CID 81214955) is N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine is CN(C)CCN(C)c1ccc2c(c1)CCCN2.
What is the InChIKey of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine?
The InChIKey is LZVDJWMRGGMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)9-10-17(3)13-6-7-14-12(11-13)5-4-8-15-14/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 81214955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).