5-butyl-N,N-dimethyl-1H-pyrrol-3-amine

C10H18N2 — CID 174965958

IUPAC5-butyl-N,N-dimethyl-1H-pyrrol-3-amine
SMILESCCCCc1cc(N(C)C)c[nH]1
InChIInChI=1S/C10H18N2/c1-4-5-6-9-7-10(8-11-9)12(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyBHHZRXNPXAVSOO-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds4

About 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine

5-butyl-N,N-dimethyl-1H-pyrrol-3-amine (PubChem CID 174965958) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-butyl-N,N-dimethyl-1H-pyrrol-3-amine
PubChem CID174965958
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-butyl-N,N-dimethyl-1H-pyrrol-3-amine
SMILESCCCCc1cc(N(C)C)c[nH]1
InChIInChI=1S/C10H18N2/c1-4-5-6-9-7-10(8-11-9)12(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyBHHZRXNPXAVSOO-UHFFFAOYSA-N
XLogP2.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-4-tert-butyl-1H-pyrrole
CID 155369940
2,6-dibutyl-N,N-dimethylpyridin-4-amine
CID 151473916
3,4,5-tributyl-N,N-dimethylaniline
CID 170058767
N,N-bis[3-(2-methyl-1H-imidazol-5-yl)propyl]pentan-1-amine
CID 140833499
3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde
CID 59523388
4-heptyl-N,N-dimethylaniline
CID 20777180
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
3-(4-butyl-1H-pyrrol-2-yl)-2-oxopropanoic acid
CID 59933740
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
4-pentyl-1,3-dihydroimidazole-2-thione
CID 24839030
5-butyl-1-[4-(dimethylamino)phenyl]pyrazole-3-carboxylic acid
CID 82361852
4-methylsulfonyl-2-propyl-1H-pyrrole
CID 174627149

Frequently Asked Questions

What is the IUPAC name of 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine?
The IUPAC name of 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine (CID 174965958) is 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine.
What is the SMILES notation for 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine?
The canonical SMILES for 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine is CCCCc1cc(N(C)C)c[nH]1.
What is the InChIKey of 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine?
The InChIKey is BHHZRXNPXAVSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-9-7-10(8-11-9)12(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine?
5-butyl-N,N-dimethyl-1H-pyrrol-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N,N-dimethyl-1H-pyrrol-3-amine is sourced from PubChem (CID 174965958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).