N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine

C7H12N2 — CID 124517902

IUPACN,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine
SMILESCN(C)CC1=NC=CC1
InChIInChI=1S/C7H12N2/c1-9(2)6-7-4-3-5-8-7/h3,5H,4,6H2,1-2H3
InChIKeyBXTCAKJKASNIPB-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.91
Rot. Bonds2

About N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine

N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine (PubChem CID 124517902) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine
PubChem CID124517902
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine
SMILESCN(C)CC1=NC=CC1
InChIInChI=1S/C7H12N2/c1-9(2)6-7-4-3-5-8-7/h3,5H,4,6H2,1-2H3
InChIKeyBXTCAKJKASNIPB-UHFFFAOYSA-N
XLogP0.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3H-pyrrole
CID 22094043
2-ethyl-3H-pyrrole
CID 53796256
1,2,3-trimethyl-3H-pyrrol-1-ium
CID 54246966
N,1-dimethyl-2,3-dihydropyridin-4-imine
CID 56625157
1-Ethyl-2,4-dihydropyridin-3-imine
CID 57189564
1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
1-Methyl-2,4-dihydropyridin-3-imine
CID 57245082
1,2-dimethyl-3H-pyrrol-1-ium
CID 57527672
2-methyl-1-propan-2-yl-3H-pyrrol-1-ium
CID 58112963
N-methyl-1-(3H-pyrrol-2-yl)methanamine
CID 58168955
1,2-diethyl-3H-pyrrol-1-ium
CID 59099688

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine (CID 124517902) is N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine is CN(C)CC1=NC=CC1.
What is the InChIKey of N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine?
The InChIKey is BXTCAKJKASNIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-9(2)6-7-4-3-5-8-7/h3,5H,4,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine?
N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 124517902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).