(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine

C10H20FNO — CID 177282055

IUPAC(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC1(F)CC1
InChIInChI=1S/C10H20FNO/c1-8(2)7-9(12)3-6-13-10(11)4-5-10/h8-9H,3-7,12H2,1-2H3/t9-/m0/s1
InChIKeyGVNBKXDJUWFMBV-VIFPVBQESA-N
MW189.27 g/mol
LogP2.23
Rot. Bonds6

About (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine

(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine (PubChem CID 177282055) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine.

Molecular Properties

Compound Name(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
PubChem CID177282055
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC1(F)CC1
InChIInChI=1S/C10H20FNO/c1-8(2)7-9(12)3-6-13-10(11)4-5-10/h8-9H,3-7,12H2,1-2H3/t9-/m0/s1
InChIKeyGVNBKXDJUWFMBV-VIFPVBQESA-N
XLogP2.23
TPSA35.25 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine?
The IUPAC name of (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine (CID 177282055) is (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine.
What is the SMILES notation for (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine?
The canonical SMILES for (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine is CC(C)C[C@@H](N)CCOC1(F)CC1.
What is the InChIKey of (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine?
The InChIKey is GVNBKXDJUWFMBV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)7-9(12)3-6-13-10(11)4-5-10/h8-9H,3-7,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine?
(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine has a molecular weight of 189.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine is sourced from PubChem (CID 177282055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).