N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine

C10H20FNO — CID 126847977

IUPACN-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCC1(F)CCCC1
InChIInChI=1S/C10H20FNO/c1-13-8-4-7-12-9-10(11)5-2-3-6-10/h12H,2-9H2,1H3
InChIKeyZHYQNZDNTJYVLQ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds6

About N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine

N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine (PubChem CID 126847977) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine
PubChem CID126847977
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCC1(F)CCCC1
InChIInChI=1S/C10H20FNO/c1-13-8-4-7-12-9-10(11)5-2-3-6-10/h12H,2-9H2,1H3
InChIKeyZHYQNZDNTJYVLQ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine (CID 126847977) is N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine is COCCCNCC1(F)CCCC1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is ZHYQNZDNTJYVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-13-8-4-7-12-9-10(11)5-2-3-6-10/h12H,2-9H2,1H3.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine?
N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopentyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 126847977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).