(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine

C10H19N3 — CID 135279711

IUPAC(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
SMILESCC1CCN(C(/C=C\N)=C/N)CC1
InChIInChI=1S/C10H19N3/c1-9-3-6-13(7-4-9)10(8-12)2-5-11/h2,5,8-9H,3-4,6-7,11-12H2,1H3/b5-2-,10-8+
InChIKeyYRWDSLXJDSRNFI-QADZFZKASA-N
MW181.28 g/mol
LogP0.99
Rot. Bonds2

About (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine

(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine (PubChem CID 135279711) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
PubChem CID135279711
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine
SMILESCC1CCN(C(/C=C\N)=C/N)CC1
InChIInChI=1S/C10H19N3/c1-9-3-6-13(7-4-9)10(8-12)2-5-11/h2,5,8-9H,3-4,6-7,11-12H2,1H3/b5-2-,10-8+
InChIKeyYRWDSLXJDSRNFI-QADZFZKASA-N
XLogP0.99
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine (CID 135279711) is (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine is CC1CCN(C(/C=C\N)=C/N)CC1.
What is the InChIKey of (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?
The InChIKey is YRWDSLXJDSRNFI-QADZFZKASA-N. The full InChI is InChI=1S/C10H19N3/c1-9-3-6-13(7-4-9)10(8-12)2-5-11/h2,5,8-9H,3-4,6-7,11-12H2,1H3/b5-2-,10-8+.
What are the key properties of (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine?
(1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(4-methylpiperidin-1-yl)buta-1,3-diene-1,4-diamine is sourced from PubChem (CID 135279711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).