(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine

C19H39NO — CID 143436133

IUPAC(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
SMILESC/C=C\C.C=CCC1(CCN)CCOC(C)(CC)C1.CC
InChIInChI=1S/C13H25NO.C4H8.C2H6/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13;1-3-4-2;1-2/h4H,1,5-11,14H2,2-3H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFQBLVNQHKCIHHD-LWFKIUJUSA-N
MW297.53 g/mol
LogP5.49
Rot. Bonds5

About (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine

(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine (PubChem CID 143436133) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
PubChem CID143436133
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
SMILESC/C=C\C.C=CCC1(CCN)CCOC(C)(CC)C1.CC
InChIInChI=1S/C13H25NO.C4H8.C2H6/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13;1-3-4-2;1-2/h4H,1,5-11,14H2,2-3H3;3-4H,1-2H3;1-2H3/b;4-3-;
InChIKeyFQBLVNQHKCIHHD-LWFKIUJUSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[4-(4-Fluoro-4-methylcyclohex-2-en-1-yl)-2,2-dimethyloxan-4-yl]ethanamine
CID 163757290
2-(9-Ethenyl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 167254398
2-(2-Ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine
CID 143436134

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The IUPAC name of (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine (CID 143436133) is (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine.
What is the SMILES notation for (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The canonical SMILES for (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine is C/C=C\C.C=CCC1(CCN)CCOC(C)(CC)C1.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
The InChIKey is FQBLVNQHKCIHHD-LWFKIUJUSA-N. The full InChI is InChI=1S/C13H25NO.C4H8.C2H6/c1-4-6-13(7-9-14)8-10-15-12(3,5-2)11-13;1-3-4-2;1-2/h4H,1,5-11,14H2,2-3H3;3-4H,1-2H3;1-2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine?
(Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine has a molecular weight of 297.53 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;2-(2-ethyl-2-methyl-4-prop-2-enyloxan-4-yl)ethanamine is sourced from PubChem (CID 143436133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).