N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine

C11H20N2 — CID 116931194

IUPACN,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
SMILESCNCC(Cc1cc[nH]c1)C(C)C
InChIInChI=1S/C11H20N2/c1-9(2)11(8-12-3)6-10-4-5-13-7-10/h4-5,7,9,11-13H,6,8H2,1-3H3
InChIKeyGREQPIYPNVGDHB-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.05
Rot. Bonds5

About N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine

N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine (PubChem CID 116931194) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
PubChem CID116931194
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
SMILESCNCC(Cc1cc[nH]c1)C(C)C
InChIInChI=1S/C11H20N2/c1-9(2)11(8-12-3)6-10-4-5-13-7-10/h4-5,7,9,11-13H,6,8H2,1-3H3
InChIKeyGREQPIYPNVGDHB-UHFFFAOYSA-N
XLogP2.05
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
3-methyl-2-(1H-pyrrol-3-ylmethyl)butanenitrile
CID 116931700
N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
N,3-dimethyl-2-(naphthalen-1-ylmethyl)butan-1-amine
CID 62528945
N-methyl-2-(1H-pyrrol-3-yl)butan-1-amine
CID 116964699
N-propan-2-yloxy-1-(1H-pyrrol-3-yl)methanamine
CID 131223122
3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
CID 115187638
3-methyl-2-[(1H-pyrrol-3-ylmethylamino)methyl]butanoic acid
CID 115250331
2-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 115686124
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
CID 116931207
2,2-difluoro-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 115405774

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine (CID 116931194) is N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine is CNCC(Cc1cc[nH]c1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine?
The InChIKey is GREQPIYPNVGDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)11(8-12-3)6-10-4-5-13-7-10/h4-5,7,9,11-13H,6,8H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine?
N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 116931194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).