3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine

C11H19N3 — CID 116907314

IUPAC3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
SMILESCN(C)C(c1cc[nH]c1)C1CC(N)C1
InChIInChI=1S/C11H19N3/c1-14(2)11(8-3-4-13-7-8)9-5-10(12)6-9/h3-4,7,9-11,13H,5-6,12H2,1-2H3
InChIKeyYSPIOBHHHMGVTM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds3

About 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine

3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 116907314) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
PubChem CID116907314
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
SMILESCN(C)C(c1cc[nH]c1)C1CC(N)C1
InChIInChI=1S/C11H19N3/c1-14(2)11(8-3-4-13-7-8)9-5-10(12)6-9/h3-4,7,9-11,13H,5-6,12H2,1-2H3
InChIKeyYSPIOBHHHMGVTM-UHFFFAOYSA-N
XLogP1.35
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907376
3-[dimethylamino-(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907348
3-[(3-chloro-4-fluorophenyl)-(dimethylamino)methyl]cyclobutan-1-amine
CID 116907322
3-[dimethylamino-(4-methoxy-2,3-dimethylphenyl)methyl]cyclobutan-1-amine
CID 116907317
N,N,2-trimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116905378
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116914360
methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
(S)-cyclopropyl(1H-pyrrol-3-yl)methanol
CID 141285307
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(1H-pyrrol-3-yl)methanamine
CID 116913048
2-cyclobutyl-1-(1H-pyrrol-3-yl)ethanol
CID 103165459
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclopropan-1-amine
CID 116961220

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine (CID 116907314) is 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine is CN(C)C(c1cc[nH]c1)C1CC(N)C1.
What is the InChIKey of 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is YSPIOBHHHMGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(2)11(8-3-4-13-7-8)9-5-10(12)6-9/h3-4,7,9-11,13H,5-6,12H2,1-2H3.
What are the key properties of 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine?
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116907314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).