N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine

C21H31N3 — CID 142599476

IUPACN-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine
SMILESC=C(CCC)c1cnc2c(C)c(C)c(C)cc2c1NCCCNC
InChIInChI=1S/C21H31N3/c1-7-9-14(2)19-13-24-20-17(5)16(4)15(3)12-18(20)21(19)23-11-8-10-22-6/h12-13,22H,2,7-11H2,1,3-6H3,(H,23,24)
InChIKeyMJDZOLRHBIGFBY-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.99
Rot. Bonds8

About N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine

N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine (PubChem CID 142599476) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine
PubChem CID142599476
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine
SMILESC=C(CCC)c1cnc2c(C)c(C)c(C)cc2c1NCCCNC
InChIInChI=1S/C21H31N3/c1-7-9-14(2)19-13-24-20-17(5)16(4)15(3)12-18(20)21(19)23-11-8-10-22-6/h12-13,22H,2,7-11H2,1,3-6H3,(H,23,24)
InChIKeyMJDZOLRHBIGFBY-UHFFFAOYSA-N
XLogP4.99
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.99
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-methyl-N'-(2,3,5,6-tetramethylphenyl)butane-1,4-diamine
CID 115201667
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
7-chloro-4-(3-hydroxypropylamino)-8-methylquinoline-3-carboxylic acid
CID 7137819
3-[(6-chloro-3-ethoxycarbonyl-8-methylquinolin-4-yl)amino]propyl-dimethylazanium
CID 3354209
ethyl 6,8-difluoro-4-(propylamino)quinoline-3-carboxylate
CID 63486440
ethyl 8-bromo-6-chloro-4-(propylamino)quinoline-3-carboxylate
CID 81256553
3-(2,3,5,6-tetramethylanilino)propan-1-ol
CID 115216623
N'-(2,5-dimethoxy-4-methylphenyl)-N-methylpropane-1,3-diamine
CID 115197692
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
1-(2,3,4,5-tetramethylphenyl)butane-1-thione
CID 167152155
1-hex-1-en-2-yl-2,4,5-trimethylbenzene
CID 142349579
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine (CID 142599476) is N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine is C=C(CCC)c1cnc2c(C)c(C)c(C)cc2c1NCCCNC.
What is the InChIKey of N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine?
The InChIKey is MJDZOLRHBIGFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-7-9-14(2)19-13-24-20-17(5)16(4)15(3)12-18(20)21(19)23-11-8-10-22-6/h12-13,22H,2,7-11H2,1,3-6H3,(H,23,24).
What are the key properties of N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine?
N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine has a molecular weight of 325.50 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(6,7,8-trimethyl-3-pent-1-en-2-ylquinolin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 142599476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).