(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine

C16H29N3 — CID 167047791

IUPAC(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine
SMILES[H]/N=C(/C=C(/C(=C)C)C(CC)CN)N1CCCCC1C
InChIInChI=1S/C16H29N3/c1-5-14(11-17)15(12(2)3)10-16(18)19-9-7-6-8-13(19)4/h10,13-14,18H,2,5-9,11,17H2,1,3-4H3/b15-10-,18-16-
InChIKeyDEOBDXVKTXUMJR-PEKIBBARSA-N
MW263.43 g/mol
LogP3.33
Rot. Bonds5

About (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine

(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine (PubChem CID 167047791) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine
PubChem CID167047791
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine
SMILES[H]/N=C(/C=C(/C(=C)C)C(CC)CN)N1CCCCC1C
InChIInChI=1S/C16H29N3/c1-5-14(11-17)15(12(2)3)10-16(18)19-9-7-6-8-13(19)4/h10,13-14,18H,2,5-9,11,17H2,1,3-4H3/b15-10-,18-16-
InChIKeyDEOBDXVKTXUMJR-PEKIBBARSA-N
XLogP3.33
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
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 (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine?
The IUPAC name of (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine (CID 167047791) is (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine?
The canonical SMILES for (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine is [H]/N=C(/C=C(/C(=C)C)C(CC)CN)N1CCCCC1C.
What is the InChIKey of (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine?
The InChIKey is DEOBDXVKTXUMJR-PEKIBBARSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-14(11-17)15(12(2)3)10-16(18)19-9-7-6-8-13(19)4/h10,13-14,18H,2,5-9,11,17H2,1,3-4H3/b15-10-,18-16-.
What are the key properties of (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine?
(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine is sourced from PubChem (CID 167047791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).