N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

C17H24N4 — CID 63318491

IUPACN'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCCN(C)C1CCCC1
InChIInChI=1S/C17H24N4/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21(2)14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeySENYKWBYEIHQMJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.22
Rot. Bonds5

About N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (PubChem CID 63318491) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
PubChem CID63318491
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
SMILESCc1nc2ccccc2nc1NCCN(C)C1CCCC1
InChIInChI=1S/C17H24N4/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21(2)14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,18,20)
InChIKeySENYKWBYEIHQMJ-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
N-(1,2,4-benzotriazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103204297
N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
CID 62198078
N-(1,3-benzoxazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318578
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63729738
N'-cyclopentyl-N-(2-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914205
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
N-(1H-benzimidazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55141811

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine (CID 63318491) is N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is Cc1nc2ccccc2nc1NCCN(C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
The InChIKey is SENYKWBYEIHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-17(20-16-10-6-5-9-15(16)19-13)18-11-12-21(2)14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63318491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).