(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

C14H24N4 — CID 139357789

IUPAC(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C=C\C)C1C
InChIInChI=1S/C14H24N4/c1-5-6-11(3)18-9-10(2)17-14(12(18)4)13(7-15)8-16/h5-8,10,12,14-15,17H,3,9,16H2,1-2,4H3/b6-5-,13-8+,15-7+
InChIKeyPCSHIMPYDKSZIH-MTDQGACHSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds4

About (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 139357789) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID139357789
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C=C\C)C1C
InChIInChI=1S/C14H24N4/c1-5-6-11(3)18-9-10(2)17-14(12(18)4)13(7-15)8-16/h5-8,10,12,14-15,17H,3,9,16H2,1-2,4H3/b6-5-,13-8+,15-7+
InChIKeyPCSHIMPYDKSZIH-MTDQGACHSA-N
XLogP1.62
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
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)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 139357789) is (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(C(=C)/C=C\C)C1C.
What is the InChIKey of (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is PCSHIMPYDKSZIH-MTDQGACHSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-6-11(3)18-9-10(2)17-14(12(18)4)13(7-15)8-16/h5-8,10,12,14-15,17H,3,9,16H2,1-2,4H3/b6-5-,13-8+,15-7+.
What are the key properties of (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3,6-dimethyl-4-[(3Z)-penta-1,3-dien-2-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139357789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).