2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine

C9H18FN — CID 107412907

IUPAC2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCC(CNCCF)C1
InChIInChI=1S/C9H18FN/c1-8-2-3-9(6-8)7-11-5-4-10/h8-9,11H,2-7H2,1H3
InChIKeyDDSMHCSXLFAPFO-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds4

About 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine

2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine (PubChem CID 107412907) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
PubChem CID107412907
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine
SMILESCC1CCC(CNCCF)C1
InChIInChI=1S/C9H18FN/c1-8-2-3-9(6-8)7-11-5-4-10/h8-9,11H,2-7H2,1H3
InChIKeyDDSMHCSXLFAPFO-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
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

6-[(3-methylcyclopentyl)methylamino]hexan-1-ol
CID 107703705
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
N-[(3-methylcyclopentyl)methyl]hydroxylamine
CID 58861173
1-[(3-methylcyclopentyl)methylamino]butan-2-ol
CID 107412667
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
CID 107412884
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
3-[(4-methylcyclohexyl)methylamino]propan-1-ol
CID 63243568
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
CID 107411052
N-methyl-2-[(3-methylcyclopentyl)methylamino]acetamide
CID 107412602
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine (CID 107412907) is 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine is CC1CCC(CNCCF)C1.
What is the InChIKey of 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine?
The InChIKey is DDSMHCSXLFAPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8-2-3-9(6-8)7-11-5-4-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine?
2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107412907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).