(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine

C11H21N3 — CID 164585945

IUPAC(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/C1CCN(C)C1
InChIInChI=1S/C11H21N3/c1-9(2)10(6-12)7-13-11-4-5-14(3)8-11/h6-7,9,11H,4-5,8,12H2,1-3H3/b10-6+,13-7+
InChIKeyLKNBZSFJBMBXOK-OIGXVCCLSA-N
MW195.31 g/mol
LogP1.26
Rot. Bonds3

About (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine

(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine (PubChem CID 164585945) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine
PubChem CID164585945
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine
SMILESCC(C)C(=C/N)/C=N/C1CCN(C)C1
InChIInChI=1S/C11H21N3/c1-9(2)10(6-12)7-13-11-4-5-14(3)8-11/h6-7,9,11H,4-5,8,12H2,1-3H3/b10-6+,13-7+
InChIKeyLKNBZSFJBMBXOK-OIGXVCCLSA-N
XLogP1.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methyl-3-pyrrolidin-3-yliminoprop-1-en-1-amine
CID 145644500
(Z)-2-methyl-3-(2-pyrrolidin-1-ylpentylimino)prop-1-en-1-amine
CID 153571672
N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine
CID 176675649

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine (CID 164585945) is (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine is CC(C)C(=C/N)/C=N/C1CCN(C)C1.
What is the InChIKey of (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine?
The InChIKey is LKNBZSFJBMBXOK-OIGXVCCLSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)10(6-12)7-13-11-4-5-14(3)8-11/h6-7,9,11H,4-5,8,12H2,1-3H3/b10-6+,13-7+.
What are the key properties of (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine?
(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine is sourced from PubChem (CID 164585945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).