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

C11H20N2 — CID 64570071

IUPAC2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-9(2)10(3)7-12-8-11-5-4-6-13-11/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyZMRYNCWNULFBBS-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.40
Rot. Bonds5

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

2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (PubChem CID 64570071) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
PubChem CID64570071
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
SMILESCC(C)C(C)CNCc1ccc[nH]1
InChIInChI=1S/C11H20N2/c1-9(2)10(3)7-12-8-11-5-4-6-13-11/h4-6,9-10,12-13H,7-8H2,1-3H3
InChIKeyZMRYNCWNULFBBS-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
CID 66177182
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
4-methyl-N-(1H-pyrrol-2-ylmethyl)pentan-1-amine
CID 62339578
1-(4-methylphenyl)-2-(1H-pyrrol-2-ylmethylamino)ethanol
CID 45098136
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
CID 115258536
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
tert-butyl N-[3-methyl-1-(1H-pyrrol-2-ylmethylamino)butan-2-yl]carbamate
CID 103578618
N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 60662724
4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
CID 115122693
2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
1H-pyrrol-2-ylmethylhydrazine
CID 53275207

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine (CID 64570071) is 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is CC(C)C(C)CNCc1ccc[nH]1.
What is the InChIKey of 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
The InChIKey is ZMRYNCWNULFBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)10(3)7-12-8-11-5-4-6-13-11/h4-6,9-10,12-13H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine?
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 64570071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).