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

C11H22N4 — CID 145198027

IUPAC(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(N)C(C)C1
InChIInChI=1S/C11H22N4/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12/h3-4,8,10H,5-7,12-14H2,1-2H3/b9-3-,11-4+
InChIKeyLVWDLOCFCBSYMM-NAYJDIOTSA-N
MW210.32 g/mol
LogP0.32
Rot. Bonds2

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

(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 145198027) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID145198027
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCC(N)C(C)C1
InChIInChI=1S/C11H22N4/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12/h3-4,8,10H,5-7,12-14H2,1-2H3/b9-3-,11-4+
InChIKeyLVWDLOCFCBSYMM-NAYJDIOTSA-N
XLogP0.32
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine (CID 145198027) is (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCC(N)C(C)C1.
What is the InChIKey of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is LVWDLOCFCBSYMM-NAYJDIOTSA-N. The full InChI is InChI=1S/C11H22N4/c1-8-7-15(6-5-10(8)13)11(14)4-3-9(2)12/h3-4,8,10H,5-7,12-14H2,1-2H3/b9-3-,11-4+.
What are the key properties of (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-amino-3-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145198027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).