N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine

C12H24F3NO — CID 82957489

IUPACN-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(17-9-7-12(13,14)15)6-5-8-16-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPOWKAJXBRWSOGR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds7

About N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine

N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine (PubChem CID 82957489) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
PubChem CID82957489
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
SMILESCC(CCCNC(C)(C)C)OCCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-10(17-9-7-12(13,14)15)6-5-8-16-11(2,3)4/h10,16H,5-9H2,1-4H3
InChIKeyPOWKAJXBRWSOGR-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
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

N-propan-2-yl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82958196
N-tert-butyl-4-methoxypentan-1-amine
CID 62444088
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
4-but-2-enoxy-N-tert-butylpentan-1-amine
CID 76943452
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
N'-tert-butyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115520149
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
3-but-3-enoxy-N-tert-butylbutan-1-amine
CID 114998637
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
N-tert-butyl-4-(oxolan-2-ylmethoxy)pentan-1-amine
CID 55077844

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine (CID 82957489) is N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine is CC(CCCNC(C)(C)C)OCCC(F)(F)F.
What is the InChIKey of N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine?
The InChIKey is POWKAJXBRWSOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(17-9-7-12(13,14)15)6-5-8-16-11(2,3)4/h10,16H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine?
N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine is sourced from PubChem (CID 82957489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).