N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C15H27N3 — CID 66443633

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1cccc1CNCC(C)CN1CCCC1
InChIInChI=1S/C15H27N3/c1-3-18-10-6-7-15(18)12-16-11-14(2)13-17-8-4-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3
InChIKeyDDXUDWKMLGCWST-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.33
Rot. Bonds7

About N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 66443633) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID66443633
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1cccc1CNCC(C)CN1CCCC1
InChIInChI=1S/C15H27N3/c1-3-18-10-6-7-15(18)12-16-11-14(2)13-17-8-4-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3
InChIKeyDDXUDWKMLGCWST-UHFFFAOYSA-N
XLogP2.33
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-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

N-[(1-ethylimidazol-2-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 62350659
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[(1-ethylpyrrol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66411888
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
2-[(1-ethylpyrrol-2-yl)methylamino]-1-phenylethanol
CID 66411511
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
N-[[1-(2-piperidin-1-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401991
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 66443633) is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CCn1cccc1CNCC(C)CN1CCCC1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DDXUDWKMLGCWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-18-10-6-7-15(18)12-16-11-14(2)13-17-8-4-5-9-17/h6-7,10,14,16H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 66443633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).