(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine

C10H16N2 — CID 15578256

IUPAC(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine
SMILESCN(C)C/C=C/c1cccn1C
InChIInChI=1S/C10H16N2/c1-11(2)8-4-6-10-7-5-9-12(10)3/h4-7,9H,8H2,1-3H3/b6-4+
InChIKeyDJWYHJDYTPTOBR-GQCTYLIASA-N
MW164.25 g/mol
LogP1.60
Rot. Bonds3

About (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine

(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine (PubChem CID 15578256) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine
PubChem CID15578256
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine
SMILESCN(C)C/C=C/c1cccn1C
InChIInChI=1S/C10H16N2/c1-11(2)8-4-6-10-7-5-9-12(10)3/h4-7,9H,8H2,1-3H3/b6-4+
InChIKeyDJWYHJDYTPTOBR-GQCTYLIASA-N
XLogP1.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine (CID 15578256) is (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine is CN(C)C/C=C/c1cccn1C.
What is the InChIKey of (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine?
The InChIKey is DJWYHJDYTPTOBR-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16N2/c1-11(2)8-4-6-10-7-5-9-12(10)3/h4-7,9H,8H2,1-3H3/b6-4+.
What are the key properties of (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine?
(E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(1-methylpyrrol-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 15578256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).