3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine

C17H27N — CID 114136754

IUPAC3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
SMILESCCc1ccccc1CNCCCC1CCCC1
InChIInChI=1S/C17H27N/c1-2-16-11-5-6-12-17(16)14-18-13-7-10-15-8-3-4-9-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3
InChIKeyLGYZPBPWHBNIMJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.31
Rot. Bonds7

About 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine

3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine (PubChem CID 114136754) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
PubChem CID114136754
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine
SMILESCCc1ccccc1CNCCCC1CCCC1
InChIInChI=1S/C17H27N/c1-2-16-11-5-6-12-17(16)14-18-13-7-10-15-8-3-4-9-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3
InChIKeyLGYZPBPWHBNIMJ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
3-cyclopentyl-N-[(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 106008268
2-chloro-6-[(3-cyclopentylpropylamino)methyl]phenol
CID 114136728
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
3-cyclopentyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114136937
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine (CID 114136754) is 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine is CCc1ccccc1CNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine?
The InChIKey is LGYZPBPWHBNIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-2-16-11-5-6-12-17(16)14-18-13-7-10-15-8-3-4-9-15/h5-6,11-12,15,18H,2-4,7-10,13-14H2,1H3.
What are the key properties of 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine?
3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114136754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).