N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine

C11H20N2 — CID 91365768

IUPACN,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
SMILESCCN(CC)CCC1(C)C=CC=N1
InChIInChI=1S/C11H20N2/c1-4-13(5-2)10-8-11(3)7-6-9-12-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyVXWMCDZLEKZBDA-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.12
Rot. Bonds5

About N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine

N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine (PubChem CID 91365768) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
PubChem CID91365768
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
SMILESCCN(CC)CCC1(C)C=CC=N1
InChIInChI=1S/C11H20N2/c1-4-13(5-2)10-8-11(3)7-6-9-12-11/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyVXWMCDZLEKZBDA-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(2-methylpyrrol-2-yl)butan-1-amine
CID 57035322
N,N-diethyl-3-(2-methylpyrrol-2-yl)propan-1-amine
CID 91081982
2-Methyl-2-(2-pyrrolidin-1-ylethyl)pyrrole
CID 91471365
2,2-dimethyl-4-pyrrolidin-1-yl-3H-pyridine
CID 146657807
1-butyl-2-methyl-2H-pyrrol-1-ium
CID 149617568
N-propan-2-yl-N-[2-(2H-pyrrol-3-yl)ethyl]propan-2-amine
CID 174808289
3-ethyl-N,N-dimethyl-2H-pyridin-3-amine
CID 176149356
1,2-di(propan-2-yl)-2H-pyrrol-1-ium
CID 140709719
1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium
CID 146657855

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine (CID 91365768) is N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine is CCN(CC)CCC1(C)C=CC=N1.
What is the InChIKey of N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine?
The InChIKey is VXWMCDZLEKZBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-13(5-2)10-8-11(3)7-6-9-12-11/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine?
N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine has a molecular weight of 180.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine is sourced from PubChem (CID 91365768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).