N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine

C10H19F2NO — CID 103081083

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCOCC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-8-2-3-9(6-8)13-4-5-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyFIUNMCNALOGHES-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine (PubChem CID 103081083) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
PubChem CID103081083
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCCOCC(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-8-2-3-9(6-8)13-4-5-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyFIUNMCNALOGHES-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.05
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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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dimethyloxan-4-amine
CID 103080937
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 62567459
1-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylpyrrolidin-3-amine
CID 103080955
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
N-(2-butoxyethyl)-3-methylcyclohexan-1-amine
CID 61171817
trans-(1R,3R)-N-(2-ethoxyethyl)-3-methylcyclohexan-1-amine
CID 93051534
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
N-(2-hexoxyethyl)-3-methylcyclohexan-1-amine
CID 62597448
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-methylcyclohexan-1-amine
CID 113426900

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine (CID 103081083) is N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine is CC1CCC(NCCOCC(F)F)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine?
The InChIKey is FIUNMCNALOGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8-2-3-9(6-8)13-4-5-14-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine has a molecular weight of 207.26 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 103081083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).