1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine

C10H19N3 — CID 585859

IUPAC1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]cc1CN(C)C
InChIInChI=1S/C10H19N3/c1-12(2)7-9-5-11-6-10(9)8-13(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyVXGILJCRQBETSV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.14
Rot. Bonds4

About 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine

1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine (PubChem CID 585859) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
PubChem CID585859
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c[nH]cc1CN(C)C
InChIInChI=1S/C10H19N3/c1-12(2)7-9-5-11-6-10(9)8-13(3)4/h5-6,11H,7-8H2,1-4H3
InChIKeyVXGILJCRQBETSV-UHFFFAOYSA-N
XLogP1.14
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-bis(trifluoromethyl)-1H-pyrrole
CID 339380
4-methyl-1H-pyrrole-3-carbonitrile
CID 3797915
1H-pyrrol-3-ylmethanamine
CID 23295846
3,4-Dimethylpyrrole
CID 5324584
N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 556802
1H-Pyrrole-3,4-dicarbonitrile
CID 575904
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379
[(1-ethyl-1H-pyrrol-3-yl)methyl](methyl)amine hydrochloride
CID 75525886
N-methyl-1-(1H-pyrrol-3-yl)methanamine
CID 58091207
3-Methyl-4-vinylpyrrole
CID 129900200
Pyrrole, 1,3,4-trimethyl-
CID 141545
3-methyl-4-(trifluoromethyl)-1H-pyrrole
CID 20709938

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine (CID 585859) is 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1c[nH]cc1CN(C)C.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is VXGILJCRQBETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12(2)7-9-5-11-6-10(9)8-13(3)4/h5-6,11H,7-8H2,1-4H3.
What are the key properties of 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine?
1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1H-pyrrol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 585859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).