N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide

C15H27N3 — CID 167288688

IUPACN'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide
SMILESC=C(/C(CC)=C(CC)\N=C(/C)N)N1CCCCC1
InChIInChI=1S/C15H27N3/c1-5-14(15(6-2)17-13(4)16)12(3)18-10-8-7-9-11-18/h3,5-11H2,1-2,4H3,(H2,16,17)/b15-14-
InChIKeyRSUUWKIEGMSMBP-PFONDFGASA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds5

About N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide

N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide (PubChem CID 167288688) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide
PubChem CID167288688
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide
SMILESC=C(/C(CC)=C(CC)\N=C(/C)N)N1CCCCC1
InChIInChI=1S/C15H27N3/c1-5-14(15(6-2)17-13(4)16)12(3)18-10-8-7-9-11-18/h3,5-11H2,1-2,4H3,(H2,16,17)/b15-14-
InChIKeyRSUUWKIEGMSMBP-PFONDFGASA-N
XLogP3.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide?
The IUPAC name of N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide (CID 167288688) is N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide.
What is the SMILES notation for N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide?
The canonical SMILES for N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide is C=C(/C(CC)=C(CC)\N=C(/C)N)N1CCCCC1.
What is the InChIKey of N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide?
The InChIKey is RSUUWKIEGMSMBP-PFONDFGASA-N. The full InChI is InChI=1S/C15H27N3/c1-5-14(15(6-2)17-13(4)16)12(3)18-10-8-7-9-11-18/h3,5-11H2,1-2,4H3,(H2,16,17)/b15-14-.
What are the key properties of N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide?
N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide has a molecular weight of 249.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-4-ethyl-5-piperidin-1-ylhexa-3,5-dien-3-yl]ethanimidamide is sourced from PubChem (CID 167288688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).