N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride

C15H26ClN5O — CID 120915684

IUPACN-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride
SMILESCl.c1cnc(NCCNC2CCCC2C2COCCN2)cn1
InChIInChI=1S/C15H25N5O.ClH/c1-2-12(14-11-21-9-8-18-14)13(3-1)17-6-7-20-15-10-16-4-5-19-15;/h4-5,10,12-14,17-18H,1-3,6-9,11H2,(H,19,20);1H
InChIKeyFOBHDUWXSWLYNT-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.06
Rot. Bonds6

About N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride

N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride (PubChem CID 120915684) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride
PubChem CID120915684
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC NameN-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride
SMILESCl.c1cnc(NCCNC2CCCC2C2COCCN2)cn1
InChIInChI=1S/C15H25N5O.ClH/c1-2-12(14-11-21-9-8-18-14)13(3-1)17-6-7-20-15-10-16-4-5-19-15;/h4-5,10,12-14,17-18H,1-3,6-9,11H2,(H,19,20);1H
InChIKeyFOBHDUWXSWLYNT-UHFFFAOYSA-N
XLogP1.06
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916118
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
N-[2-(3,5-difluorophenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915329
N-[2-(4-fluorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913887
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914266
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
N-(2-tert-butylsulfonylethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916306
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[2-(benzenesulfonyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915822

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride (CID 120915684) is N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride is Cl.c1cnc(NCCNC2CCCC2C2COCCN2)cn1.
What is the InChIKey of N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride?
The InChIKey is FOBHDUWXSWLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.ClH/c1-2-12(14-11-21-9-8-18-14)13(3-1)17-6-7-20-15-10-16-4-5-19-15;/h4-5,10,12-14,17-18H,1-3,6-9,11H2,(H,19,20);1H.
What are the key properties of N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride?
N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-3-ylcyclopentyl)-N'-pyrazin-2-ylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120915684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).