ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine

C18H27N — CID 142957611

IUPACethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
SMILESC=C(Cc1ccccc1)NC(/C=C\CC)=C/C.CC
InChIInChI=1S/C16H21N.C2H6/c1-4-6-12-16(5-2)17-14(3)13-15-10-8-7-9-11-15;1-2/h5-12,17H,3-4,13H2,1-2H3;1-2H3/b12-6-,16-5+;
InChIKeyPJRNLWNKXCRZLK-MPCOYTMJSA-N
MW257.42 g/mol
LogP5.23
Rot. Bonds6

About ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine

ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine (PubChem CID 142957611) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine.

Molecular Properties

Compound Nameethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
PubChem CID142957611
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine
SMILESC=C(Cc1ccccc1)NC(/C=C\CC)=C/C.CC
InChIInChI=1S/C16H21N.C2H6/c1-4-6-12-16(5-2)17-14(3)13-15-10-8-7-9-11-15;1-2/h5-12,17H,3-4,13H2,1-2H3;1-2H3/b12-6-,16-5+;
InChIKeyPJRNLWNKXCRZLK-MPCOYTMJSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849
3-benzylpent-3-enoic acid;ethane
CID 90707925
ethane;N-[(2E,4Z)-hepta-2,4-dien-3-yl]acetamide
CID 143175455
ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene
CID 142354588
(3Z)-N-[1-(2-ethylphenyl)ethenyl]hexa-1,3-dien-2-amine
CID 134182642
(Z)-but-2-ene;(E)-3-[4-(3-phenylprop-1-en-2-ylamino)phenyl]prop-2-enoic acid
CID 143093733
2-methylidenebutylbenzene
CID 10964655
[(1Z,3E)-2-anilinohexa-1,3-dienyl]-triphenylphosphanium
CID 101071939
ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
CID 145328256
(E)-1-phenylbut-2-en-2-ol
CID 170790149
ethane;(2Z,4E)-N-[(2E)-5-methylhexa-2,4-dien-3-yl]-1-(4-methylphenyl)hepta-2,4-dien-4-amine;toluene
CID 144745862

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine?
The IUPAC name of ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine (CID 142957611) is ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine.
What is the SMILES notation for ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine?
The canonical SMILES for ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine is C=C(Cc1ccccc1)NC(/C=C\CC)=C/C.CC.
What is the InChIKey of ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine?
The InChIKey is PJRNLWNKXCRZLK-MPCOYTMJSA-N. The full InChI is InChI=1S/C16H21N.C2H6/c1-4-6-12-16(5-2)17-14(3)13-15-10-8-7-9-11-15;1-2/h5-12,17H,3-4,13H2,1-2H3;1-2H3/b12-6-,16-5+;.
What are the key properties of ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine?
ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine has a molecular weight of 257.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4Z)-N-(3-phenylprop-1-en-2-yl)hepta-2,4-dien-3-amine is sourced from PubChem (CID 142957611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).