N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

C14H24F3N — CID 105164038

IUPACN-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N/c1-4-10(2)8-13(18-3)11-6-5-7-12(9-11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3
InChIKeyXHBIECNCBCBCSK-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.30
Rot. Bonds5

About N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine

N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 105164038) has the molecular formula C14H24F3N and a molecular weight of 263.35 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID105164038
Molecular FormulaC14H24F3N
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC NameN-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N/c1-4-10(2)8-13(18-3)11-6-5-7-12(9-11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3
InChIKeyXHBIECNCBCBCSK-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
(3R)-2-methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89073715
2-Methyl-6-(trifluoromethyl)oct-1-en-3-amine
CID 89154096
2-fluoro-N-methyl-6-prop-1-en-2-ylcycloheptan-1-amine
CID 123961973
4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
3,3-difluoro-N,7-dimethyl-6-methylideneoctan-1-amine
CID 134570911
8-fluoro-N,2-dimethyl-3-methylideneoctan-4-amine
CID 134571051
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
4,4-difluoro-N-[4-methyl-5-[1-(4-methylpent-4-enyl)piperidin-3-yl]pentyl]cyclohexan-1-amine
CID 142528853
3-Fluoro-2-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 146299779
5-Propan-2-yl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 146356803
1-[(8aR)-6,7-difluoro-1,2,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]-N-methylpropan-2-amine
CID 154939639

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 105164038) is N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is C=C(CC)CC(NC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is XHBIECNCBCBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N/c1-4-10(2)8-13(18-3)11-6-5-7-12(9-11)14(15,16)17/h11-13,18H,2,4-9H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 105164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).