(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine

C10H18N4O — CID 134406430

IUPAC(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(N=O)CC1
InChIInChI=1S/C10H18N4O/c1-8(11)2-3-10(12)14-6-4-9(13-15)5-7-14/h2-3,9H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyXFZCBDSLCUXTJQ-AVBCCAMWSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds3

About (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406430) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406430
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(N=O)CC1
InChIInChI=1S/C10H18N4O/c1-8(11)2-3-10(12)14-6-4-9(13-15)5-7-14/h2-3,9H,4-7,11-12H2,1H3/b8-2-,10-3+
InChIKeyXFZCBDSLCUXTJQ-AVBCCAMWSA-N
XLogP0.88
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine (CID 134406430) is (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCC(N=O)CC1.
What is the InChIKey of (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is XFZCBDSLCUXTJQ-AVBCCAMWSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(11)2-3-10(12)14-6-4-9(13-15)5-7-14/h2-3,9H,4-7,11-12H2,1H3/b8-2-,10-3+.
What are the key properties of (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-nitrosopiperidin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).