N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen

C11H19NO — CID 143733495

IUPACN,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
SMILESC=C.C=O.CNc1ccc(C)cc1.[H][H]
InChIInChI=1S/C8H11N.C2H4.CH2O.H2/c1-7-3-5-8(9-2)6-4-7;2*1-2;/h3-6,9H,1-2H3;1-2H2;1H2;1H
InChIKeyUZWVICYMLISPIN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.90
Rot. Bonds1

About N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen

N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen (PubChem CID 143733495) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen.

Molecular Properties

Compound NameN,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
PubChem CID143733495
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
SMILESC=C.C=O.CNc1ccc(C)cc1.[H][H]
InChIInChI=1S/C8H11N.C2H4.CH2O.H2/c1-7-3-5-8(9-2)6-4-7;2*1-2;/h3-6,9H,1-2H3;1-2H2;1H2;1H
InChIKeyUZWVICYMLISPIN-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
N,4-dimethylaniline;5-methylidene-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 144530672
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
CID 143697278
N-methylmethanamine;1,4-xylene
CID 66760370
4-N-methylbenzene-1,4-diamine;4-methylbenzenethiol
CID 142806771
N-methyl-4-(6-methylnaphthalen-2-yl)aniline
CID 116962530
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen?
The IUPAC name of N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen (CID 143733495) is N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen.
What is the SMILES notation for N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen?
The canonical SMILES for N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen is C=C.C=O.CNc1ccc(C)cc1.[H][H].
What is the InChIKey of N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen?
The InChIKey is UZWVICYMLISPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4.CH2O.H2/c1-7-3-5-8(9-2)6-4-7;2*1-2;/h3-6,9H,1-2H3;1-2H2;1H2;1H.
What are the key properties of N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen?
N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen has a molecular weight of 181.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen is sourced from PubChem (CID 143733495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).