N,N-dimethyl-2-pyrrol-1-ylethanamine

C8H14N2 — CID 43394750

IUPACN,N-dimethyl-2-pyrrol-1-ylethanamine
SMILESCN(C)CCn1cccc1
InChIInChI=1S/C8H14N2/c1-9(2)7-8-10-5-3-4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyMKAFXTJXBAATNI-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.05
Rot. Bonds3

About N,N-dimethyl-2-pyrrol-1-ylethanamine

N,N-dimethyl-2-pyrrol-1-ylethanamine (PubChem CID 43394750) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N,N-dimethyl-2-pyrrol-1-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyrrol-1-ylethanamine
PubChem CID43394750
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN,N-dimethyl-2-pyrrol-1-ylethanamine
SMILESCN(C)CCn1cccc1
InChIInChI=1S/C8H14N2/c1-9(2)7-8-10-5-3-4-6-10/h3-6H,7-8H2,1-2H3
InChIKeyMKAFXTJXBAATNI-UHFFFAOYSA-N
XLogP1.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyrrol-1-ylethanamine?
The IUPAC name of N,N-dimethyl-2-pyrrol-1-ylethanamine (CID 43394750) is N,N-dimethyl-2-pyrrol-1-ylethanamine.
What is the SMILES notation for N,N-dimethyl-2-pyrrol-1-ylethanamine?
The canonical SMILES for N,N-dimethyl-2-pyrrol-1-ylethanamine is CN(C)CCn1cccc1.
What is the InChIKey of N,N-dimethyl-2-pyrrol-1-ylethanamine?
The InChIKey is MKAFXTJXBAATNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9(2)7-8-10-5-3-4-6-10/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-pyrrol-1-ylethanamine?
N,N-dimethyl-2-pyrrol-1-ylethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyrrol-1-ylethanamine is sourced from PubChem (CID 43394750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).