3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

C18H25N — CID 89029099

IUPAC3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C\C=C(/C)NC1CC=CC(CC)=C1/C=C\C
InChIInChI=1S/C18H25N/c1-5-8-9-12-15(4)19-18-14-10-13-16(7-3)17(18)11-6-2/h5-6,8-13,18-19H,1,7,14H2,2-4H3/b9-8-,11-6-,15-12+
InChIKeyZAWMMSGWKHMODF-INOTUCNHSA-N
MW255.40 g/mol
LogP4.83
Rot. Bonds6

About 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine

3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (PubChem CID 89029099) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
PubChem CID89029099
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C\C=C(/C)NC1CC=CC(CC)=C1/C=C\C
InChIInChI=1S/C18H25N/c1-5-8-9-12-15(4)19-18-14-10-13-16(7-3)17(18)11-6-2/h5-6,8-13,18-19H,1,7,14H2,2-4H3/b9-8-,11-6-,15-12+
InChIKeyZAWMMSGWKHMODF-INOTUCNHSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine (CID 89029099) is 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is C=C/C=C\C=C(/C)NC1CC=CC(CC)=C1/C=C\C.
What is the InChIKey of 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is ZAWMMSGWKHMODF-INOTUCNHSA-N. The full InChI is InChI=1S/C18H25N/c1-5-8-9-12-15(4)19-18-14-10-13-16(7-3)17(18)11-6-2/h5-6,8-13,18-19H,1,7,14H2,2-4H3/b9-8-,11-6-,15-12+.
What are the key properties of 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine?
3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89029099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).