3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine

C15H26N2O — CID 28878150

IUPAC3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
SMILESCn1cccc1CNCCCOC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-17-11-5-7-14(17)13-16-10-6-12-18-15-8-3-2-4-9-15/h5,7,11,15-16H,2-4,6,8-10,12-13H2,1H3
InChIKeySOIILYHYODFYCL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.85
Rot. Bonds7

About 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine (PubChem CID 28878150) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
PubChem CID28878150
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
SMILESCn1cccc1CNCCCOC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-17-11-5-7-14(17)13-16-10-6-12-18-15-8-3-2-4-9-15/h5,7,11,15-16H,2-4,6,8-10,12-13H2,1H3
InChIKeySOIILYHYODFYCL-UHFFFAOYSA-N
XLogP2.85
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-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

3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
5-[(3-cyclohexyloxypropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126564
N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
CID 83229360
2-(cyclopropylmethoxy)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 115641653
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302
3-cyclohexyloxy-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 28720311
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 115656623
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine (CID 28878150) is 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine is Cn1cccc1CNCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
The InChIKey is SOIILYHYODFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-11-5-7-14(17)13-16-10-6-12-18-15-8-3-2-4-9-15/h5,7,11,15-16H,2-4,6,8-10,12-13H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 28878150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).