2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine

C13H24N2 — CID 66416750

IUPAC2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
SMILESCCCn1ccc(CNCC(C)CC)c1
InChIInChI=1S/C13H24N2/c1-4-7-15-8-6-13(11-15)10-14-9-12(3)5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNVKSDSVFNKMBKN-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.03
Rot. Bonds7

About 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine

2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine (PubChem CID 66416750) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
PubChem CID66416750
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
SMILESCCCn1ccc(CNCC(C)CC)c1
InChIInChI=1S/C13H24N2/c1-4-7-15-8-6-13(11-15)10-14-9-12(3)5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyNVKSDSVFNKMBKN-UHFFFAOYSA-N
XLogP3.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
2-methyl-N-[[1-(2-methylbutyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66406832
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
3-methyl-N-[(1-propylpyrrol-3-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 66399253
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527684
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-butan-2-yl-3-[(1-propylpyrrol-3-yl)methylamino]propanamide
CID 66415755
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine (CID 66416750) is 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine is CCCn1ccc(CNCC(C)CC)c1.
What is the InChIKey of 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine?
The InChIKey is NVKSDSVFNKMBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-7-15-8-6-13(11-15)10-14-9-12(3)5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine?
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine has a molecular weight of 208.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 66416750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).