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

C16H28F3N — CID 105163942

IUPAC3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H28F3N/c1-4-9-20-15(10-12(3)5-2)13-7-6-8-14(11-13)16(17,18)19/h13-15,20H,3-11H2,1-2H3
InChIKeyKBHIUAJDHFXOAB-UHFFFAOYSA-N
MW291.40 g/mol
LogP5.08
Rot. Bonds7

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

3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (PubChem CID 105163942) has the molecular formula C16H28F3N and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
PubChem CID105163942
Molecular FormulaC16H28F3N
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H28F3N/c1-4-9-20-15(10-12(3)5-2)13-7-6-8-14(11-13)16(17,18)19/h13-15,20H,3-11H2,1-2H3
InChIKeyKBHIUAJDHFXOAB-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.40
LogP ≤ 55.08
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

N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
3-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105137916
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153083
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744
1-(2-methylcyclopentyl)-3-methylidene-N-propylpentan-1-amine
CID 107189799
N-[oxolan-3-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105147551
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]heptan-1-amine
CID 105126402
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The IUPAC name of 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine (CID 105163942) is 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine.
What is the SMILES notation for 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The canonical SMILES for 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is C=C(CC)CC(NCCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
The InChIKey is KBHIUAJDHFXOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N/c1-4-9-20-15(10-12(3)5-2)13-7-6-8-14(11-13)16(17,18)19/h13-15,20H,3-11H2,1-2H3.
What are the key properties of 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine?
3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine is sourced from PubChem (CID 105163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).