N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine

C17H23N3 — CID 103739535

IUPACN'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNc1cc(C)nc2ccccc12)C1CC1
InChIInChI=1S/C17H23N3/c1-3-20(14-8-9-14)11-10-18-17-12-13(2)19-16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyBIEKONAUGHQSDG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.44
Rot. Bonds6

About N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 103739535) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
PubChem CID103739535
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCCN(CCNc1cc(C)nc2ccccc12)C1CC1
InChIInChI=1S/C17H23N3/c1-3-20(14-8-9-14)11-10-18-17-12-13(2)19-16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,19)
InChIKeyBIEKONAUGHQSDG-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
CID 61463009
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
1-N-[2-[cyclopropyl(ethyl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 114132963
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
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine (CID 103739535) is N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine is CCN(CCNc1cc(C)nc2ccccc12)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is BIEKONAUGHQSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-20(14-8-9-14)11-10-18-17-12-13(2)19-16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11H2,1-2H3,(H,18,19).
What are the key properties of N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-N-(2-methylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103739535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).