(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine

C7H13FN2 — CID 178125860

IUPAC(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
SMILESCN1C[C@H]2C[C@@]2(N)[C@@H](F)C1
InChIInChI=1S/C7H13FN2/c1-10-3-5-2-7(5,9)6(8)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m1/s1
InChIKeyMVMGHXJWVQJAPF-VQVTYTSYSA-N
MW144.19 g/mol
LogP-0.01
Rot. Bonds

About (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine

(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine (PubChem CID 178125860) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine.

Molecular Properties

Compound Name(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
PubChem CID178125860
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
SMILESCN1C[C@H]2C[C@@]2(N)[C@@H](F)C1
InChIInChI=1S/C7H13FN2/c1-10-3-5-2-7(5,9)6(8)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m1/s1
InChIKeyMVMGHXJWVQJAPF-VQVTYTSYSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
CID 176557058
(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
CID 178124905
3-Fluoro-4-methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105431021
4-(Fluoromethyl)-1-(2-methylpropyl)azepan-4-amine
CID 115022738
4-(Fluoromethyl)-1-(1-methylpiperidin-4-yl)azepan-4-amine
CID 115055748
3-Methyl-3-azabicyclo[4.1.0]heptan-7-amine
CID 82418789
3-Methyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82651001
3-Azabicyclo[4.1.0]heptan-6-amine
CID 117045485
3-Methyl-3-azabicyclo[4.1.0]heptan-6-amine
CID 117273465
3-Ethyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 117273467
N-methyl-3-azabicyclo[4.1.0]heptan-6-amine
CID 118405146
1-Methyl-2-azabicyclo[4.1.0]heptan-5-amine
CID 156369741

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine?
The IUPAC name of (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine (CID 178125860) is (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine.
What is the SMILES notation for (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine?
The canonical SMILES for (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine is CN1C[C@H]2C[C@@]2(N)[C@@H](F)C1.
What is the InChIKey of (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine?
The InChIKey is MVMGHXJWVQJAPF-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-5-2-7(5,9)6(8)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine?
(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine has a molecular weight of 144.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine is sourced from PubChem (CID 178125860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).