2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine

C20H33N3O — CID 143805481

IUPAC2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine
SMILESCCC=C(C)N(CC(C)CN)c1ccc(N2CCOCC2)c(C)c1
InChIInChI=1S/C20H33N3O/c1-5-6-18(4)23(15-16(2)14-21)19-7-8-20(17(3)13-19)22-9-11-24-12-10-22/h6-8,13,16H,5,9-12,14-15,21H2,1-4H3
InChIKeyXHSVPGCFTRKQNJ-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.55
Rot. Bonds7

About 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine

2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine (PubChem CID 143805481) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine
PubChem CID143805481
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine
SMILESCCC=C(C)N(CC(C)CN)c1ccc(N2CCOCC2)c(C)c1
InChIInChI=1S/C20H33N3O/c1-5-6-18(4)23(15-16(2)14-21)19-7-8-20(17(3)13-19)22-9-11-24-12-10-22/h6-8,13,16H,5,9-12,14-15,21H2,1-4H3
InChIKeyXHSVPGCFTRKQNJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

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CID 23278484
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2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
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N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
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2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
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1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
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[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-(N-ethoxycarbonyl-3-fluoro-4-morpholin-4-ylanilino)propan-2-yl] acetate
CID 86293034
5-methyl-2-morpholin-4-ylaniline
CID 18952141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine (CID 143805481) is 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine is CCC=C(C)N(CC(C)CN)c1ccc(N2CCOCC2)c(C)c1.
What is the InChIKey of 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine?
The InChIKey is XHSVPGCFTRKQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-5-6-18(4)23(15-16(2)14-21)19-7-8-20(17(3)13-19)22-9-11-24-12-10-22/h6-8,13,16H,5,9-12,14-15,21H2,1-4H3.
What are the key properties of 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine?
2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine has a molecular weight of 331.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3-methyl-4-morpholin-4-ylphenyl)-N'-pent-2-en-2-ylpropane-1,3-diamine is sourced from PubChem (CID 143805481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).