N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine

C16H23N3 — CID 79234831

IUPACN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)Cc1ccnc2ccccc12
InChIInChI=1S/C16H23N3/c1-13(2)11-19(10-8-17)12-14-7-9-18-16-6-4-3-5-15(14)16/h3-7,9,13H,8,10-12,17H2,1-2H3
InChIKeyPCHJWMZRNRONHS-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.65
Rot. Bonds6

About N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine

N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine (PubChem CID 79234831) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
PubChem CID79234831
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN)Cc1ccnc2ccccc12
InChIInChI=1S/C16H23N3/c1-13(2)11-19(10-8-17)12-14-7-9-18-16-6-4-3-5-15(14)16/h3-7,9,13H,8,10-12,17H2,1-2H3
InChIKeyPCHJWMZRNRONHS-UHFFFAOYSA-N
XLogP2.65
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroquine
CID 2719
N,N-Dimethyltryptamine
CID 6089
(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
Gramine
CID 6890
6-Methylquinoline
CID 7059
5-Methylquinoxaline
CID 61670
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
4-Methylquinoline
CID 10285
N,N-Diethyltryptamine
CID 6090

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine (CID 79234831) is N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine is CC(C)CN(CCN)Cc1ccnc2ccccc12.
What is the InChIKey of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is PCHJWMZRNRONHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)11-19(10-8-17)12-14-7-9-18-16-6-4-3-5-15(14)16/h3-7,9,13H,8,10-12,17H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N'-(quinolin-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 79234831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).