N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride

C20H34ClN3O — CID 120914670

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CCNC1CCCC1C1COCCN1)c1cccc(C)c1.Cl
InChIInChI=1S/C20H33N3O.ClH/c1-3-23(17-7-4-6-16(2)14-17)12-10-21-19-9-5-8-18(19)20-15-24-13-11-22-20;/h4,6-7,14,18-22H,3,5,8-13,15H2,1-2H3;1H
InChIKeyYDDZRDILYBDGOK-UHFFFAOYSA-N
MW367.97 g/mol
LogP2.99
Rot. Bonds7

About N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride

N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120914670) has the molecular formula C20H34ClN3O and a molecular weight of 367.97 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
PubChem CID120914670
Molecular FormulaC20H34ClN3O
Molecular Weight367.97 g/mol
Exact Mass367.24
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
SMILESCCN(CCNC1CCCC1C1COCCN1)c1cccc(C)c1.Cl
InChIInChI=1S/C20H33N3O.ClH/c1-3-23(17-7-4-6-16(2)14-17)12-10-21-19-9-5-8-18(19)20-15-24-13-11-22-20;/h4,6-7,14,18-22H,3,5,8-13,15H2,1-2H3;1H
InChIKeyYDDZRDILYBDGOK-UHFFFAOYSA-N
XLogP2.99
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916354
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915910
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(3-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914249
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
2-morpholin-3-yl-N-(2-naphthalen-2-ylethyl)cyclopentan-1-amine
CID 120914609
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride (CID 120914670) is N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride is CCN(CCNC1CCCC1C1COCCN1)c1cccc(C)c1.Cl.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is YDDZRDILYBDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.ClH/c1-3-23(17-7-4-6-16(2)14-17)12-10-21-19-9-5-8-18(19)20-15-24-13-11-22-20;/h4,6-7,14,18-22H,3,5,8-13,15H2,1-2H3;1H.
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride?
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 367.97 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120914670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).