ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene

C28H44N4 — CID 142361817

IUPACethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene
SMILESC=C.CCCNCCC.CN.Cc1ccc(C)cc1.Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H10N2.C8H10.C6H15N.C2H4.CH5N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;2*1-2/h1-8H,12H2;3-6H,1-2H3;7H,3-6H2,1-2H3;1-2H2;2H2,1H3
InChIKeyVLBDFAHNPBMYHN-UHFFFAOYSA-N
MW436.69 g/mol
LogP6.41
Rot. Bonds5

About ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene

ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene (PubChem CID 142361817) has the molecular formula C28H44N4 and a molecular weight of 436.69 g/mol. Its IUPAC name is ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene.

Molecular Properties

Compound Nameethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene
PubChem CID142361817
Molecular FormulaC28H44N4
Molecular Weight436.69 g/mol
Exact Mass436.36
IUPAC Nameethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene
SMILESC=C.CCCNCCC.CN.Cc1ccc(C)cc1.Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C11H10N2.C8H10.C6H15N.C2H4.CH5N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;2*1-2/h1-8H,12H2;3-6H,1-2H3;7H,3-6H2,1-2H3;1-2H2;2H2,1H3
InChIKeyVLBDFAHNPBMYHN-UHFFFAOYSA-N
XLogP6.41
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.69
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-[2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridin-1-ium-1-yl]aniline
CID 131748891
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
4-(4-aminophenyl)aniline;ethane;bis(pyridine)
CID 161174430
4-methylaniline trifluoride
CID 22627679
4-methylaniline;trihydrofluoride
CID 70169513
bis(4-methylpyridine);platinum(2+);dichloride
CID 170853957
5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660
4-(2-pyridin-4-ylpyrimidin-5-yl)aniline
CID 22416326
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694

Frequently Asked Questions

What is the IUPAC name of ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene?
The IUPAC name of ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene (CID 142361817) is ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene.
What is the SMILES notation for ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene?
The canonical SMILES for ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene is C=C.CCCNCCC.CN.Cc1ccc(C)cc1.Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene?
The InChIKey is VLBDFAHNPBMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.C8H10.C6H15N.C2H4.CH5N/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;1-7-3-5-8(2)6-4-7;1-3-5-7-6-4-2;2*1-2/h1-8H,12H2;3-6H,1-2H3;7H,3-6H2,1-2H3;1-2H2;2H2,1H3.
What are the key properties of ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene?
ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene has a molecular weight of 436.69 g/mol, XLogP of 6.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methanamine;N-propylpropan-1-amine;4-pyridin-4-ylaniline;1,4-xylene is sourced from PubChem (CID 142361817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).