4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine

C12H24FNO — CID 103392526

IUPAC4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCC1
InChIInChI=1S/C12H24FNO/c1-15-10-12(13,7-4-8-14)9-11-5-2-3-6-11/h11H,2-10,14H2,1H3
InChIKeyJGNONWNEDSNUNU-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds7

About 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine

4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392526) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392526
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)CC1CCCC1
InChIInChI=1S/C12H24FNO/c1-15-10-12(13,7-4-8-14)9-11-5-2-3-6-11/h11H,2-10,14H2,1H3
InChIKeyJGNONWNEDSNUNU-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
CID 65401877
[3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
CID 65407866
2-Cyclopentyl-3-(difluoromethoxy)propan-1-amine
CID 84720009
2-[3-(Difluoromethoxymethyl)cyclopentyl]ethanamine
CID 84720018
2-[2-(Difluoromethoxymethyl)cyclopentyl]ethanamine
CID 84720020
4-Fluoro-4-(methoxymethyl)-6-methylnonan-1-amine
CID 103392364
4-Fluoro-4-(methoxymethyl)-6-methyloctan-1-amine
CID 103392386
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-4-(methoxymethyl)tridecan-1-amine
CID 103392396

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392526) is 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)CC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is JGNONWNEDSNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-15-10-12(13,7-4-8-14)9-11-5-2-3-6-11/h11H,2-10,14H2,1H3.
What are the key properties of 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine?
4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).