ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine

C16H31NO — CID 142406484

IUPACethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine
SMILESC=C.C=CC(=C(C)C)N(CCOC)C(=C)C.CC
InChIInChI=1S/C12H21NO.C2H6.C2H4/c1-7-12(10(2)3)13(11(4)5)8-9-14-6;2*1-2/h7H,1,4,8-9H2,2-3,5-6H3;1-2H3;1-2H2
InChIKeyROXRKPWUYWPLCI-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.78
Rot. Bonds6

About ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine

ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine (PubChem CID 142406484) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Nameethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine
PubChem CID142406484
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine
SMILESC=C.C=CC(=C(C)C)N(CCOC)C(=C)C.CC
InChIInChI=1S/C12H21NO.C2H6.C2H4/c1-7-12(10(2)3)13(11(4)5)8-9-14-6;2*1-2/h7H,1,4,8-9H2,2-3,5-6H3;1-2H3;1-2H2
InChIKeyROXRKPWUYWPLCI-UHFFFAOYSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine with MolForge

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Related Compounds

4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
(3Z,5Z)-N-(2-ethoxyethyl)-3-fluoro-N-methylhepta-1,3,5-trien-4-amine
CID 143588785
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
CID 12856185
4-Hexa-2,4-dien-3-ylmorpholine
CID 90725635
4-(5-Methylhexa-2,4-dien-3-yl)morpholine
CID 90845057
(3E)-N-(2-methoxyethyl)-N-methylpenta-1,3-dien-3-amine
CID 117985759
N,N-bis(2-methoxyethyl)hexa-2,4,5-trien-3-amine
CID 123221093
2-Methoxyethyl-methyl-(3-methylpenta-2,4-dien-2-yl)-propylazanium
CID 123374405
N-(2-ethoxyethyl)-N-methylbuta-1,3-dien-2-amine
CID 123377125
2-N-(2-methoxyethyl)-2-N,5-N-dimethyl-5-N-(2-methylpropyl)hexa-1,3,5-triene-2,5-diamine
CID 123738492
(3Z,5Z)-N-ethyl-N-(2-methoxyethyl)-5-methylhepta-1,3,5-trien-2-amine
CID 134534216
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine?
The IUPAC name of ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine (CID 142406484) is ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine.
What is the SMILES notation for ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine?
The canonical SMILES for ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine is C=C.C=CC(=C(C)C)N(CCOC)C(=C)C.CC.
What is the InChIKey of ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine?
The InChIKey is ROXRKPWUYWPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO.C2H6.C2H4/c1-7-12(10(2)3)13(11(4)5)8-9-14-6;2*1-2/h7H,1,4,8-9H2,2-3,5-6H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine?
ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine has a molecular weight of 253.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-(2-methoxyethyl)-4-methyl-N-prop-1-en-2-ylpenta-1,3-dien-3-amine is sourced from PubChem (CID 142406484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).