(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine

C16H32F2N2 — CID 143486970

IUPAC(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC[C@H](CNC)CC1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N.C4H9N/c1-3-10(9-15-2)8-11-4-6-12(13,14)7-5-11;1-4(2)5-3/h10-11,15H,3-9H2,1-2H3;5H,1H2,2-3H3/t10-;/m0./s1
InChIKeyGQIHAKAVQTUIRK-PPHPATTJSA-N
MW290.44 g/mol
LogP4.19
Rot. Bonds6

About (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine

(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine (PubChem CID 143486970) has the molecular formula C16H32F2N2 and a molecular weight of 290.44 g/mol. Its IUPAC name is (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
PubChem CID143486970
Molecular FormulaC16H32F2N2
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
SMILESC=C(C)NC.CC[C@H](CNC)CC1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2N.C4H9N/c1-3-10(9-15-2)8-11-4-6-12(13,14)7-5-11;1-4(2)5-3/h10-11,15H,3-9H2,1-2H3;5H,1H2,2-3H3/t10-;/m0./s1
InChIKeyGQIHAKAVQTUIRK-PPHPATTJSA-N
XLogP4.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
3-[4-(2,2-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569223
3-[4-(1,1-difluoro-5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569319
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
8-cyclohexyl-5,5-dimethyl-N-prop-1-en-2-yloctan-1-amine
CID 68257574
10-ethyl-N-prop-1-en-2-ylhenicosan-1-amine
CID 144209529
ethane;7-ethyl-N-prop-1-en-2-ylnonan-1-amine
CID 144397353
4-pentyl-N-prop-1-en-2-ylundecan-1-amine
CID 167167942
ethane;4-(2-ethylbutyl)-N-prop-1-en-2-ylcyclohexan-1-amine
CID 170948434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine?
The IUPAC name of (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine (CID 143486970) is (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine.
What is the SMILES notation for (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine?
The canonical SMILES for (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine is C=C(C)NC.CC[C@H](CNC)CC1CCC(F)(F)CC1.
What is the InChIKey of (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine?
The InChIKey is GQIHAKAVQTUIRK-PPHPATTJSA-N. The full InChI is InChI=1S/C12H23F2N.C4H9N/c1-3-10(9-15-2)8-11-4-6-12(13,14)7-5-11;1-4(2)5-3/h10-11,15H,3-9H2,1-2H3;5H,1H2,2-3H3/t10-;/m0./s1.
What are the key properties of (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine?
(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine has a molecular weight of 290.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine is sourced from PubChem (CID 143486970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).