N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

C12H24F3NO — CID 66275318

IUPACN-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)CNCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)9-16-7-5-4-6-8-17-11(3)12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyRFNJTZVVTIYNGN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66275318) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66275318
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)CNCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(2)9-16-7-5-4-6-8-17-11(3)12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyRFNJTZVVTIYNGN-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-N-(1-iodoethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 138656871
1-[(3,3-Difluoro-5-propan-2-yloxypentyl)amino]-3-methylbutan-2-one
CID 141687823
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019
N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
CID 155346504
4-fluoro-N-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 156303799
N-[[6-(trifluoromethyl)oxan-3-yl]methyl]ethanamine
CID 156872224
N-tert-butyl-3,3-difluoro-5-propoxypentan-1-amine
CID 161607679

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66275318) is N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CC(C)CNCCCCCOC(C)C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is RFNJTZVVTIYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(2)9-16-7-5-4-6-8-17-11(3)12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 66275318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).