1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine

C15H25N — CID 143443436

IUPAC1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
SMILESC=CN.CC.CC/C=C/c1cccc(C)c1
InChIInChI=1S/C11H14.C2H5N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2-3;1-2/h4-9H,3H2,1-2H3;2H,1,3H2;1-2H3/b7-4+;;
InChIKeyRPNFOJDNQGTLEW-RDRKJGRWSA-N
MW219.37 g/mol
LogP4.53
Rot. Bonds2

About 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine

1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine (PubChem CID 143443436) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
PubChem CID143443436
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
SMILESC=CN.CC.CC/C=C/c1cccc(C)c1
InChIInChI=1S/C11H14.C2H5N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2-3;1-2/h4-9H,3H2,1-2H3;2H,1,3H2;1-2H3/b7-4+;;
InChIKeyRPNFOJDNQGTLEW-RDRKJGRWSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-1-enyl]-3-methylbenzene;(3Z)-3-methylhexa-1,3,5-triene
CID 142163059
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
1-methyl-3-pent-1-enylbenzene
CID 54093666
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
ethane;1-[(E)-4-methoxybut-1-enyl]-3-methylbenzene
CID 143867253
1-ethenyl-3-methylbenzene
CID 7529
1-bromo-3-[(E)-but-1-enyl]benzene
CID 22159609
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
ethane;(E,2R)-6-(3-methylphenyl)hex-5-en-2-ol
CID 143867256

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine?
The IUPAC name of 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine (CID 143443436) is 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine is C=CN.CC.CC/C=C/c1cccc(C)c1.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine?
The InChIKey is RPNFOJDNQGTLEW-RDRKJGRWSA-N. The full InChI is InChI=1S/C11H14.C2H5N.C2H6/c1-3-4-7-11-8-5-6-10(2)9-11;1-2-3;1-2/h4-9H,3H2,1-2H3;2H,1,3H2;1-2H3/b7-4+;;.
What are the key properties of 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine?
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine has a molecular weight of 219.37 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine is sourced from PubChem (CID 143443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).