(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine

C15H26N4 — CID 139357783

IUPAC(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)N(C(=C)/C=C\C)C1C
InChIInChI=1S/C15H26N4/c1-6-7-10(2)19-12(4)11(3)18-15(13(19)5)14(8-16)9-17/h6-9,11-13,15-16,18H,2,17H2,1,3-5H3/b7-6-,14-9+,16-8+
InChIKeyWBZIXKNHGXGZMG-JSXIAHCNSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds4

About (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine

(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine (PubChem CID 139357783) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine
PubChem CID139357783
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)N(C(=C)/C=C\C)C1C
InChIInChI=1S/C15H26N4/c1-6-7-10(2)19-12(4)11(3)18-15(13(19)5)14(8-16)9-17/h6-9,11-13,15-16,18H,2,17H2,1,3-5H3/b7-6-,14-9+,16-8+
InChIKeyWBZIXKNHGXGZMG-JSXIAHCNSA-N
XLogP2.01
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine (CID 139357783) is (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)C(C)N(C(=C)/C=C\C)C1C.
What is the InChIKey of (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine?
The InChIKey is WBZIXKNHGXGZMG-JSXIAHCNSA-N. The full InChI is InChI=1S/C15H26N4/c1-6-7-10(2)19-12(4)11(3)18-15(13(19)5)14(8-16)9-17/h6-9,11-13,15-16,18H,2,17H2,1,3-5H3/b7-6-,14-9+,16-8+.
What are the key properties of (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine?
(Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[3,5,6-trimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 139357783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).