2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine

C21H35N3O — CID 120914113

IUPAC2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
SMILESCC(NC(C)(C)CNC1CCCC1C1COCCN1)c1ccccc1
InChIInChI=1S/C21H35N3O/c1-16(17-8-5-4-6-9-17)24-21(2,3)15-23-19-11-7-10-18(19)20-14-25-13-12-22-20/h4-6,8-9,16,18-20,22-24H,7,10-15H2,1-3H3
InChIKeyJQXRQPIDKDYOJF-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.86
Rot. Bonds7

About 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine

2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine (PubChem CID 120914113) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
PubChem CID120914113
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
SMILESCC(NC(C)(C)CNC1CCCC1C1COCCN1)c1ccccc1
InChIInChI=1S/C21H35N3O/c1-16(17-8-5-4-6-9-17)24-21(2,3)15-23-19-11-7-10-18(19)20-14-25-13-12-22-20/h4-6,8-9,16,18-20,22-24H,7,10-15H2,1-3H3
InChIKeyJQXRQPIDKDYOJF-UHFFFAOYSA-N
XLogP2.86
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914216
2-morpholin-3-yl-N-(2-phenylsulfanylethyl)cyclopentan-1-amine
CID 120914703
N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915631
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915869
2-morpholin-3-yl-N-[(2-propan-2-yloxyphenyl)methyl]cyclopentan-1-amine
CID 120914019
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191
N-[2-(2-methoxyphenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914873
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
2-morpholin-3-yl-N-[(1-phenylcyclobutyl)methyl]cyclopentan-1-amine
CID 120915057
2-morpholin-3-yl-N-[(1-phenylcyclopentyl)methyl]cyclopentan-1-amine
CID 120915053
1-(2-methoxyphenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]ethanol;hydrochloride
CID 120914206
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine (CID 120914113) is 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine is CC(NC(C)(C)CNC1CCCC1C1COCCN1)c1ccccc1.
What is the InChIKey of 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
The InChIKey is JQXRQPIDKDYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-16(17-8-5-4-6-9-17)24-21(2,3)15-23-19-11-7-10-18(19)20-14-25-13-12-22-20/h4-6,8-9,16,18-20,22-24H,7,10-15H2,1-3H3.
What are the key properties of 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine?
2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine has a molecular weight of 345.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine is sourced from PubChem (CID 120914113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).