N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine

C15H21N3 — CID 62664297

IUPACN-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(NCCNC(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N3/c1-11(2)16-8-9-17-15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyVBAIDKKGRILGSY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine

N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62664297) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62664297
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(NCCNC(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N3/c1-11(2)16-8-9-17-15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyVBAIDKKGRILGSY-UHFFFAOYSA-N
XLogP2.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
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

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
N-(5-chloro-4-methylpentyl)-2-methylquinolin-4-amine
CID 114150940
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
2-[(2-methylquinolin-4-yl)amino]ethanesulfonamide
CID 43552334
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine (CID 62664297) is N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine is Cc1cc(NCCNC(C)C)c2ccccc2n1.
What is the InChIKey of N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VBAIDKKGRILGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)16-8-9-17-15-10-12(3)18-14-7-5-4-6-13(14)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62664297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).