4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine

C15H28F3NO — CID 82954256

IUPAC4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-4-8-19-13-6-5-12(11(2)3)10-14(13)20-9-7-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyBVARDBFEGKEPFI-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds7

About 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine

4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine (PubChem CID 82954256) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine
PubChem CID82954256
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-4-8-19-13-6-5-12(11(2)3)10-14(13)20-9-7-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyBVARDBFEGKEPFI-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine with MolForge

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Related Compounds

2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63474366
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
N-methyl-4-propan-2-yl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82790043
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 103283261
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82788586

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine (CID 82954256) is 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OCCC(F)(F)F.
What is the InChIKey of 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine?
The InChIKey is BVARDBFEGKEPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-8-19-13-6-5-12(11(2)3)10-14(13)20-9-7-15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine?
4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 82954256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).