(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine

C9H16FN — CID 166648253

IUPAC(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine
SMILESCNC1=CC(C)CC[C@]1(C)F
InChIInChI=1S/C9H16FN/c1-7-4-5-9(2,10)8(6-7)11-3/h6-7,11H,4-5H2,1-3H3/t7?,9-/m0/s1
InChIKeyNPDZTNFFPYUKQF-NETXQHHPSA-N
MW157.23 g/mol
LogP2.25
Rot. Bonds1

About (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine

(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine (PubChem CID 166648253) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine.

Molecular Properties

Compound Name(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine
PubChem CID166648253
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine
SMILESCNC1=CC(C)CC[C@]1(C)F
InChIInChI=1S/C9H16FN/c1-7-4-5-9(2,10)8(6-7)11-3/h6-7,11H,4-5H2,1-3H3/t7?,9-/m0/s1
InChIKeyNPDZTNFFPYUKQF-NETXQHHPSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
N-methyl-4-(trifluoromethyl)cyclohexen-1-amine
CID 156424034
(1E,3S,4E)-1-N-ethyl-7-fluoro-1-N,4-N,3,6-tetramethylcyclonona-1,4-diene-1,4-diamine
CID 163881628
5-fluoro-N,3-dimethylcyclohexen-1-amine
CID 170185936
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
4,6-Dipropyl-1,2,3,4-tetrahydropyridine
CID 53951029
N,4-dimethylcyclohexen-1-amine
CID 54445404
N,3,5,5-tetramethylcyclohexen-1-amine
CID 70486301
N-methyl-1-(4-methylcyclohex-3-en-1-yl)ethenamine
CID 89187896
4-butyl-N-methylcyclohexen-1-amine
CID 89209417
(E,6S)-N,6-dimethyloct-2-en-3-amine
CID 89209438
1-(6-ethenylcyclohex-3-en-1-yl)-N-methylethenamine
CID 134484923

Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine?
The IUPAC name of (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine (CID 166648253) is (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine.
What is the SMILES notation for (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine?
The canonical SMILES for (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine is CNC1=CC(C)CC[C@]1(C)F.
What is the InChIKey of (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine?
The InChIKey is NPDZTNFFPYUKQF-NETXQHHPSA-N. The full InChI is InChI=1S/C9H16FN/c1-7-4-5-9(2,10)8(6-7)11-3/h6-7,11H,4-5H2,1-3H3/t7?,9-/m0/s1.
What are the key properties of (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine?
(6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-N,3,6-trimethylcyclohexen-1-amine is sourced from PubChem (CID 166648253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).