2-butyl-N,N-dimethylpyrrol-1-amine

C10H18N2 — CID 14264384

IUPAC2-butyl-N,N-dimethylpyrrol-1-amine
SMILESCCCCc1cccn1N(C)C
InChIInChI=1S/C10H18N2/c1-4-5-7-10-8-6-9-12(10)11(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQRPVCNGHMCQMPX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.03
Rot. Bonds4

About 2-butyl-N,N-dimethylpyrrol-1-amine

2-butyl-N,N-dimethylpyrrol-1-amine (PubChem CID 14264384) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-butyl-N,N-dimethylpyrrol-1-amine.

Molecular Properties

Compound Name2-butyl-N,N-dimethylpyrrol-1-amine
PubChem CID14264384
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-butyl-N,N-dimethylpyrrol-1-amine
SMILESCCCCc1cccn1N(C)C
InChIInChI=1S/C10H18N2/c1-4-5-7-10-8-6-9-12(10)11(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQRPVCNGHMCQMPX-UHFFFAOYSA-N
XLogP2.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-butylpyrrol-1-yl)aniline
CID 154707141
1-(bromomethyl)-2-hexylpyrrole
CID 175000826
1-tert-butyl-2-octylpyrrole;hydrobromide
CID 174917622
1-hexan-2-yl-2-pentylpyrrole
CID 71216360
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
1-octyl-2-propylpyrrole
CID 171570532
1-benzyl-2-heptylpyrrole
CID 102411152
sodium 2-octylpyrrole-1-sulfonate
CID 23663213
(5-butyl-1-ethylpyrrol-2-yl)methanol
CID 100793109
2-propylpyrrol-1-amine
CID 14381083

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N,N-dimethylpyrrol-1-amine?
The IUPAC name of 2-butyl-N,N-dimethylpyrrol-1-amine (CID 14264384) is 2-butyl-N,N-dimethylpyrrol-1-amine.
What is the SMILES notation for 2-butyl-N,N-dimethylpyrrol-1-amine?
The canonical SMILES for 2-butyl-N,N-dimethylpyrrol-1-amine is CCCCc1cccn1N(C)C.
What is the InChIKey of 2-butyl-N,N-dimethylpyrrol-1-amine?
The InChIKey is QRPVCNGHMCQMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-7-10-8-6-9-12(10)11(2)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-butyl-N,N-dimethylpyrrol-1-amine?
2-butyl-N,N-dimethylpyrrol-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N,N-dimethylpyrrol-1-amine is sourced from PubChem (CID 14264384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).