(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine

C10H19N3 — CID 167047772

IUPAC(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)N1CCCCC1C
InChIInChI=1S/C10H19N3/c1-8(11)7-10(12)13-6-4-3-5-9(13)2/h7,9,12H,3-6,11H2,1-2H3/b8-7-,12-10+
InChIKeyNWTIGOIIZKOCCJ-QOUMFGDESA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds1

About (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine

(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine (PubChem CID 167047772) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine
PubChem CID167047772
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine
SMILES[H]/N=C(\C=C(\C)N)N1CCCCC1C
InChIInChI=1S/C10H19N3/c1-8(11)7-10(12)13-6-4-3-5-9(13)2/h7,9,12H,3-6,11H2,1-2H3/b8-7-,12-10+
InChIKeyNWTIGOIIZKOCCJ-QOUMFGDESA-N
XLogP1.70
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine (CID 167047772) is (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine is [H]/N=C(\C=C(\C)N)N1CCCCC1C.
What is the InChIKey of (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine?
The InChIKey is NWTIGOIIZKOCCJ-QOUMFGDESA-N. The full InChI is InChI=1S/C10H19N3/c1-8(11)7-10(12)13-6-4-3-5-9(13)2/h7,9,12H,3-6,11H2,1-2H3/b8-7-,12-10+.
What are the key properties of (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine?
(Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-4-(2-methylpiperidin-1-yl)but-2-en-2-amine is sourced from PubChem (CID 167047772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).