N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine

C17H25N3 — CID 79235391

IUPACN'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1cc(C)nc2ccccc12)CC(C)CN
InChIInChI=1S/C17H25N3/c1-4-20(11-13(2)10-18)12-15-9-14(3)19-17-8-6-5-7-16(15)17/h5-9,13H,4,10-12,18H2,1-3H3
InChIKeyXBVCVIWPPSDMIX-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.96
Rot. Bonds6

About N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine

N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine (PubChem CID 79235391) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
PubChem CID79235391
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1cc(C)nc2ccccc12)CC(C)CN
InChIInChI=1S/C17H25N3/c1-4-20(11-13(2)10-18)12-15-9-14(3)19-17-8-6-5-7-16(15)17/h5-9,13H,4,10-12,18H2,1-3H3
InChIKeyXBVCVIWPPSDMIX-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]butanenitrile
CID 79235555
N-(2-chloroethyl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 79240137
3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
CID 79240798
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
(2-methylquinolin-4-yl)methanethiol
CID 79885955
3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
CID 79231162
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine (CID 79235391) is N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine is CCN(Cc1cc(C)nc2ccccc12)CC(C)CN.
What is the InChIKey of N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is XBVCVIWPPSDMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-20(11-13(2)10-18)12-15-9-14(3)19-17-8-6-5-7-16(15)17/h5-9,13H,4,10-12,18H2,1-3H3.
What are the key properties of N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine?
N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79235391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).