N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine

C15H25N3 — CID 62094966

IUPACN'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
SMILESCN1CCCc2cc(CNCCCCN)ccc21
InChIInChI=1S/C15H25N3/c1-18-10-4-5-14-11-13(6-7-15(14)18)12-17-9-3-2-8-16/h6-7,11,17H,2-5,8-10,12,16H2,1H3
InChIKeyLRCLBHCLLPIBFC-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.90
Rot. Bonds6

About N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine

N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine (PubChem CID 62094966) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
PubChem CID62094966
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine
SMILESCN1CCCc2cc(CNCCCCN)ccc21
InChIInChI=1S/C15H25N3/c1-18-10-4-5-14-11-13(6-7-15(14)18)12-17-9-3-2-8-16/h6-7,11,17H,2-5,8-10,12,16H2,1H3
InChIKeyLRCLBHCLLPIBFC-UHFFFAOYSA-N
XLogP1.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]prop-2-en-1-amine
CID 62072231
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104922982
3-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904608
3-(1-methyl-2,3-dihydroindol-5-yl)propan-1-amine
CID 62095510
2,2-dimethoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 62096866
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
N'-(3,4-dihydro-2H-thiochromen-6-ylmethyl)butane-1,4-diamine
CID 115201247
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
N,N,2,2-tetramethyl-N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propane-1,3-diamine
CID 62096477

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine (CID 62094966) is N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine is CN1CCCc2cc(CNCCCCN)ccc21.
What is the InChIKey of N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine?
The InChIKey is LRCLBHCLLPIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-18-10-4-5-14-11-13(6-7-15(14)18)12-17-9-3-2-8-16/h6-7,11,17H,2-5,8-10,12,16H2,1H3.
What are the key properties of N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine?
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 62094966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).