4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine

C18H25N — CID 170019410

IUPAC4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine
SMILESC=C(C)C(=C\C1=CC=C(N)C1)/C(C)=C(\CC)C(=C)C
InChIInChI=1S/C18H25N/c1-7-17(12(2)3)14(6)18(13(4)5)11-15-8-9-16(19)10-15/h8-9,11H,2,4,7,10,19H2,1,3,5-6H3/b17-14-,18-11+
InChIKeyCVLDPRJMTVTBTJ-GRMGBEPGSA-N
MW255.40 g/mol
LogP4.96
Rot. Bonds5

About 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine

4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine (PubChem CID 170019410) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine
PubChem CID170019410
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine
SMILESC=C(C)C(=C\C1=CC=C(N)C1)/C(C)=C(\CC)C(=C)C
InChIInChI=1S/C18H25N/c1-7-17(12(2)3)14(6)18(13(4)5)11-15-8-9-16(19)10-15/h8-9,11H,2,4,7,10,19H2,1,3,5-6H3/b17-14-,18-11+
InChIKeyCVLDPRJMTVTBTJ-GRMGBEPGSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine?
The IUPAC name of 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine (CID 170019410) is 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine?
The canonical SMILES for 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine is C=C(C)C(=C\C1=CC=C(N)C1)/C(C)=C(\CC)C(=C)C.
What is the InChIKey of 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine?
The InChIKey is CVLDPRJMTVTBTJ-GRMGBEPGSA-N. The full InChI is InChI=1S/C18H25N/c1-7-17(12(2)3)14(6)18(13(4)5)11-15-8-9-16(19)10-15/h8-9,11H,2,4,7,10,19H2,1,3,5-6H3/b17-14-,18-11+.
What are the key properties of 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine?
4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 255.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3Z)-4-ethyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 170019410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).