1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine

C9H18FNO — CID 81113627

IUPAC1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCCCF)C1
InChIInChI=1S/C9H18FNO/c1-11-7-8-5-9(6-8)12-4-2-3-10/h8-9,11H,2-7H2,1H3
InChIKeyKKHRXDGXNMWCIW-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds6

About 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine

1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine (PubChem CID 81113627) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine
PubChem CID81113627
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(OCCCF)C1
InChIInChI=1S/C9H18FNO/c1-11-7-8-5-9(6-8)12-4-2-3-10/h8-9,11H,2-7H2,1H3
InChIKeyKKHRXDGXNMWCIW-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
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

3-Fluoro-4-(propan-2-yloxymethyl)piperidine
CID 122547224
N-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62445978
N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62446355
1-[3-(2,2-difluoroethoxy)cyclobutyl]-N-methylmethanamine
CID 65987788
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethoxy]cyclobutyl]methanamine
CID 65988428
N-methyl-1-[3-(2,2,2-trifluoroethoxy)cyclobutyl]methanamine
CID 65989450
N-methyl-1-[3-[3-(2,2,2-trifluoroethoxy)propoxy]cyclobutyl]methanamine
CID 65989661
N-methyl-1-[3-[2-(trifluoromethoxy)ethoxy]cyclobutyl]methanamine
CID 65989873
N-methyl-1-[3-(3,3,3-trifluoropropoxy)cyclobutyl]methanamine
CID 65990467
N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66274666
N-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66275971
1-[3-(2-fluoroethoxy)cyclobutyl]-N-methylmethanamine
CID 80695254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine (CID 81113627) is 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine is CNCC1CC(OCCCF)C1.
What is the InChIKey of 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine?
The InChIKey is KKHRXDGXNMWCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-11-7-8-5-9(6-8)12-4-2-3-10/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine?
1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoropropoxy)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81113627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).