N-methyl-N'-quinolin-4-ylethane-1,2-diamine

C12H15N3 — CID 62658935

IUPACN-methyl-N'-quinolin-4-ylethane-1,2-diamine
SMILESCNCCNc1ccnc2ccccc12
InChIInChI=1S/C12H15N3/c1-13-8-9-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,13H,8-9H2,1H3,(H,14,15)
InChIKeyZPELGCKCYASDGP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-N'-quinolin-4-ylethane-1,2-diamine

N-methyl-N'-quinolin-4-ylethane-1,2-diamine (PubChem CID 62658935) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-N'-quinolin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-quinolin-4-ylethane-1,2-diamine
PubChem CID62658935
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-N'-quinolin-4-ylethane-1,2-diamine
SMILESCNCCNc1ccnc2ccccc12
InChIInChI=1S/C12H15N3/c1-13-8-9-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,13H,8-9H2,1H3,(H,14,15)
InChIKeyZPELGCKCYASDGP-UHFFFAOYSA-N
XLogP1.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethylquinolin-4-amine
CID 15306588
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-[2-(2-methylphenyl)ethyl]quinolin-4-amine
CID 79755193
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
CID 62979742
3-N,3-N-diethyl-1-N-quinolin-4-ylbutane-1,3-diamine
CID 140608178
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
CID 118576144
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
N-(2-methylbutyl)quinolin-4-amine
CID 62694785
1-N-quinolin-4-ylbutane-1,2-diamine
CID 63730587

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-quinolin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N'-quinolin-4-ylethane-1,2-diamine (CID 62658935) is N-methyl-N'-quinolin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-quinolin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-quinolin-4-ylethane-1,2-diamine is CNCCNc1ccnc2ccccc12.
What is the InChIKey of N-methyl-N'-quinolin-4-ylethane-1,2-diamine?
The InChIKey is ZPELGCKCYASDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-13-8-9-15-12-6-7-14-11-5-3-2-4-10(11)12/h2-7,13H,8-9H2,1H3,(H,14,15).
What are the key properties of N-methyl-N'-quinolin-4-ylethane-1,2-diamine?
N-methyl-N'-quinolin-4-ylethane-1,2-diamine has a molecular weight of 201.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-quinolin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62658935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).