N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine

C6H12N2 — CID 22598257

IUPACN,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine
SMILESCN(C)C1=CNCC1
InChIInChI=1S/C6H12N2/c1-8(2)6-3-4-7-5-6/h5,7H,3-4H2,1-2H3
InChIKeyIZMVOKRXIMKUOB-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.38
Rot. Bonds1

About N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine

N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine (PubChem CID 22598257) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine
PubChem CID22598257
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine
SMILESCN(C)C1=CNCC1
InChIInChI=1S/C6H12N2/c1-8(2)6-3-4-7-5-6/h5,7H,3-4H2,1-2H3
InChIKeyIZMVOKRXIMKUOB-UHFFFAOYSA-N
XLogP0.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine (CID 22598257) is N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine is CN(C)C1=CNCC1.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine?
The InChIKey is IZMVOKRXIMKUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-8(2)6-3-4-7-5-6/h5,7H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine?
N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine has a molecular weight of 112.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1H-pyrrol-4-amine is sourced from PubChem (CID 22598257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).