N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine

C10H18N2 — CID 130433120

IUPACN-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1CCCN1C
InChIInChI=1S/C10H18N2/c1-4-7-11-9(2)10-6-5-8-12(10)3/h4,10-11H,1-2,5-8H2,3H3
InChIKeyGLDXSZOHJAUNIY-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.37
Rot. Bonds4

About N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine

N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine (PubChem CID 130433120) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
PubChem CID130433120
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1CCCN1C
InChIInChI=1S/C10H18N2/c1-4-7-11-9(2)10-6-5-8-12(10)3/h4,10-11H,1-2,5-8H2,3H3
InChIKeyGLDXSZOHJAUNIY-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine (CID 130433120) is N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine is C=CCNC(=C)C1CCCN1C.
What is the InChIKey of N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The InChIKey is GLDXSZOHJAUNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-7-11-9(2)10-6-5-8-12(10)3/h4,10-11H,1-2,5-8H2,3H3.
What are the key properties of N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine is sourced from PubChem (CID 130433120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).