N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine

C14H23N3 — CID 82539703

IUPACN',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H23N3/c1-16(2)10-8-15-13-6-7-14-12(11-13)5-4-9-17(14)3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyGLEOVEODHGQMHB-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.04
Rot. Bonds4

About N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine (PubChem CID 82539703) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
PubChem CID82539703
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H23N3/c1-16(2)10-8-15-13-6-7-14-12(11-13)5-4-9-17(14)3/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyGLEOVEODHGQMHB-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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine (CID 82539703) is N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine is CN(C)CCNc1ccc2c(c1)CCCN2C.
What is the InChIKey of N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine?
The InChIKey is GLEOVEODHGQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)10-8-15-13-6-7-14-12(11-13)5-4-9-17(14)3/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-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'-dimethyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 82539703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).