(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine

C10H19N3 — CID 154966910

IUPAC(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine
SMILESC/N=C/C(=C\N)CCN1CC(C)C1
InChIInChI=1S/C10H19N3/c1-9-7-13(8-9)4-3-10(5-11)6-12-2/h5-6,9H,3-4,7-8,11H2,1-2H3/b10-5-,12-6+
InChIKeyVENXDPHZTSCPHE-QKHYZZJUSA-N
MW181.28 g/mol
LogP0.87
Rot. Bonds4

About (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine

(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine (PubChem CID 154966910) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine
PubChem CID154966910
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine
SMILESC/N=C/C(=C\N)CCN1CC(C)C1
InChIInChI=1S/C10H19N3/c1-9-7-13(8-9)4-3-10(5-11)6-12-2/h5-6,9H,3-4,7-8,11H2,1-2H3/b10-5-,12-6+
InChIKeyVENXDPHZTSCPHE-QKHYZZJUSA-N
XLogP0.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine?
The IUPAC name of (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine (CID 154966910) is (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine?
The canonical SMILES for (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine is C/N=C/C(=C\N)CCN1CC(C)C1.
What is the InChIKey of (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine?
The InChIKey is VENXDPHZTSCPHE-QKHYZZJUSA-N. The full InChI is InChI=1S/C10H19N3/c1-9-7-13(8-9)4-3-10(5-11)6-12-2/h5-6,9H,3-4,7-8,11H2,1-2H3/b10-5-,12-6+.
What are the key properties of (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine?
(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 154966910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).