ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine

C19H34N2O — CID 165127677

IUPACethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine
SMILESC=C(C)c1cc(N)ccc1N(C)C1CCCCO1.CC.CC
InChIInChI=1S/C15H22N2O.2C2H6/c1-11(2)13-10-12(16)7-8-14(13)17(3)15-6-4-5-9-18-15;2*1-2/h7-8,10,15H,1,4-6,9,16H2,2-3H3;2*1-2H3
InChIKeySXXJOYOMEIDFIG-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.32
Rot. Bonds3

About ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine

ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine (PubChem CID 165127677) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine
PubChem CID165127677
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Nameethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine
SMILESC=C(C)c1cc(N)ccc1N(C)C1CCCCO1.CC.CC
InChIInChI=1S/C15H22N2O.2C2H6/c1-11(2)13-10-12(16)7-8-14(13)17(3)15-6-4-5-9-18-15;2*1-2/h7-8,10,15H,1,4-6,9,16H2,2-3H3;2*1-2H3
InChIKeySXXJOYOMEIDFIG-UHFFFAOYSA-N
XLogP5.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine?
The IUPAC name of ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine (CID 165127677) is ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine.
What is the SMILES notation for ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine?
The canonical SMILES for ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine is C=C(C)c1cc(N)ccc1N(C)C1CCCCO1.CC.CC.
What is the InChIKey of ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine?
The InChIKey is SXXJOYOMEIDFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.2C2H6/c1-11(2)13-10-12(16)7-8-14(13)17(3)15-6-4-5-9-18-15;2*1-2/h7-8,10,15H,1,4-6,9,16H2,2-3H3;2*1-2H3.
What are the key properties of ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine?
ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine has a molecular weight of 306.49 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N-methyl-1-N-(oxan-2-yl)-2-prop-1-en-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 165127677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).