3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine

C19H34N6 — CID 176524081

IUPAC3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine
SMILESC=C=C(NC1(C=C)CCN(C)CC1)C(C)NC(=C)CNC(=C)CNN
InChIInChI=1S/C19H34N6/c1-7-18(24-19(8-2)9-11-25(6)12-10-19)17(5)23-16(4)13-21-15(3)14-22-20/h8,17,21-24H,1-4,9-14,20H2,5-6H3
InChIKeyDXYBIEKRBJNOJS-UHFFFAOYSA-N
MW346.52 g/mol
LogP0.95
Rot. Bonds11

About 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine

3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine (PubChem CID 176524081) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine
PubChem CID176524081
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine
SMILESC=C=C(NC1(C=C)CCN(C)CC1)C(C)NC(=C)CNC(=C)CNN
InChIInChI=1S/C19H34N6/c1-7-18(24-19(8-2)9-11-25(6)12-10-19)17(5)23-16(4)13-21-15(3)14-22-20/h8,17,21-24H,1-4,9-14,20H2,5-6H3
InChIKeyDXYBIEKRBJNOJS-UHFFFAOYSA-N
XLogP0.95
TPSA77.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine?
The IUPAC name of 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine (CID 176524081) is 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine.
What is the SMILES notation for 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine?
The canonical SMILES for 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine is C=C=C(NC1(C=C)CCN(C)CC1)C(C)NC(=C)CNC(=C)CNN.
What is the InChIKey of 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine?
The InChIKey is DXYBIEKRBJNOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-7-18(24-19(8-2)9-11-25(6)12-10-19)17(5)23-16(4)13-21-15(3)14-22-20/h8,17,21-24H,1-4,9-14,20H2,5-6H3.
What are the key properties of 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine?
3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine has a molecular weight of 346.52 g/mol, XLogP of 0.95, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethenyl-1-methylpiperidin-4-yl)-2-N-[3-(3-hydrazinylprop-1-en-2-ylamino)prop-1-en-2-yl]penta-3,4-diene-2,3-diamine is sourced from PubChem (CID 176524081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).