1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine

C17H25N3 — CID 79093124

IUPAC1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
SMILESCCCNC(Cc1ccnc2ccccc12)CN(C)C
InChIInChI=1S/C17H25N3/c1-4-10-18-15(13-20(2)3)12-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,4,10,12-13H2,1-3H3
InChIKeyFEPAXDJZFGTORC-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.71
Rot. Bonds7

About 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine

1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine (PubChem CID 79093124) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
PubChem CID79093124
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine
SMILESCCCNC(Cc1ccnc2ccccc12)CN(C)C
InChIInChI=1S/C17H25N3/c1-4-10-18-15(13-20(2)3)12-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,4,10,12-13H2,1-3H3
InChIKeyFEPAXDJZFGTORC-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-methylsulfanyl-N-propyl-1-quinolin-4-ylbutan-2-amine
CID 105159278
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
N,4-dimethyl-1-quinolin-4-ylhexan-2-amine
CID 104997356
N-propan-2-yl-1-quinolin-4-ylhexan-2-amine
CID 79412792
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
4-(2-ethylbutyl)quinoline
CID 143495355
4-ethoxy-N-ethyl-1-quinolin-4-ylbutan-2-amine
CID 105159357
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79095493
1-(2-methylquinolin-4-yl)-N-propylbutan-2-amine
CID 55162398
N,N-diethyl-3-hydrazinyl-4-quinolin-4-ylbutan-1-amine
CID 105244083
N-propyl-1-quinolin-5-ylhexan-3-amine
CID 81221861
4-(2-chlorobutyl)quinoline
CID 63203241

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine (CID 79093124) is 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine is CCCNC(Cc1ccnc2ccccc12)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine?
The InChIKey is FEPAXDJZFGTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-10-18-15(13-20(2)3)12-14-9-11-19-17-8-6-5-7-16(14)17/h5-9,11,15,18H,4,10,12-13H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine?
1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine has a molecular weight of 271.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-propyl-3-quinolin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 79093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).