3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine

C14H28FNO — CID 177009851

IUPAC3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine
SMILESCCC(F)CCN(C)CC1(COC(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-5-13(15)6-9-16(4)10-14(7-8-14)11-17-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyBSOUOGZPZYQHDW-UHFFFAOYSA-N
MW245.38 g/mol
LogP3.26
Rot. Bonds9

About 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine

3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine (PubChem CID 177009851) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine
PubChem CID177009851
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine
SMILESCCC(F)CCN(C)CC1(COC(C)C)CC1
InChIInChI=1S/C14H28FNO/c1-5-13(15)6-9-16(4)10-14(7-8-14)11-17-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyBSOUOGZPZYQHDW-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine (CID 177009851) is 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine is CCC(F)CCN(C)CC1(COC(C)C)CC1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine?
The InChIKey is BSOUOGZPZYQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FNO/c1-5-13(15)6-9-16(4)10-14(7-8-14)11-17-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine?
3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine has a molecular weight of 245.38 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine is sourced from PubChem (CID 177009851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).