N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane

C19H42N2O3 — CID 155582545

IUPACN-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
SMILESCC(C)C.CC(C)CCCOCCN1CCOC(C)C1.CNC=O
InChIInChI=1S/C13H27NO2.C4H10.C2H5NO/c1-12(2)5-4-8-15-9-6-14-7-10-16-13(3)11-14;1-4(2)3;1-3-2-4/h12-13H,4-11H2,1-3H3;4H,1-3H3;2H,1H3,(H,3,4)
InChIKeyILAJXIWYPJFTRL-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.18
Rot. Bonds8

About N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane

N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane (PubChem CID 155582545) has the molecular formula C19H42N2O3 and a molecular weight of 346.56 g/mol. Its IUPAC name is N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane.

Molecular Properties

Compound NameN-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
PubChem CID155582545
Molecular FormulaC19H42N2O3
Molecular Weight346.56 g/mol
Exact Mass346.32
IUPAC NameN-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
SMILESCC(C)C.CC(C)CCCOCCN1CCOC(C)C1.CNC=O
InChIInChI=1S/C13H27NO2.C4H10.C2H5NO/c1-12(2)5-4-8-15-9-6-14-7-10-16-13(3)11-14;1-4(2)3;1-3-2-4/h12-13H,4-11H2,1-3H3;4H,1-3H3;2H,1H3,(H,3,4)
InChIKeyILAJXIWYPJFTRL-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]butan-1-amine
CID 171540678
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
CID 155023154
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]formamide
CID 156795250
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
ethane;4-(2-ethoxyethyl)-2,6-dimethylmorpholine;(2S)-2-methyl-4-(2-propoxyethyl)morpholine
CID 154661250
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616

Frequently Asked Questions

What is the IUPAC name of N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane?
The IUPAC name of N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane (CID 155582545) is N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane.
What is the SMILES notation for N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane?
The canonical SMILES for N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane is CC(C)C.CC(C)CCCOCCN1CCOC(C)C1.CNC=O.
What is the InChIKey of N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane?
The InChIKey is ILAJXIWYPJFTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C4H10.C2H5NO/c1-12(2)5-4-8-15-9-6-14-7-10-16-13(3)11-14;1-4(2)3;1-3-2-4/h12-13H,4-11H2,1-3H3;4H,1-3H3;2H,1H3,(H,3,4).
What are the key properties of N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane?
N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane has a molecular weight of 346.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane is sourced from PubChem (CID 155582545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).