N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

C10H20F3NO — CID 66275961

IUPACN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCNCCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(10(11,12)13)15-8-6-4-3-5-7-14-2/h9,14H,3-8H2,1-2H3
InChIKeyKKGNSBUZLDDKBH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds8

About N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine

N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (PubChem CID 66275961) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
PubChem CID66275961
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine
SMILESCNCCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(10(11,12)13)15-8-6-4-3-5-7-14-2/h9,14H,3-8H2,1-2H3
InChIKeyKKGNSBUZLDDKBH-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
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

4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
2,2,2-trifluoro-N-[2-(3-propyloxiran-2-yl)ethyl]ethanamine
CID 162548883
3,3-difluoro-N-methyl-5-propan-2-yloxypentan-1-amine
CID 167254115
1-(5,5-difluoro-6-methyloxan-2-yl)-N-methylmethanamine
CID 171531417
N-methyl-6-(trifluoromethoxy)hexan-1-amine
CID 172335585
N-[(2S)-butan-2-yl]-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 173769374
(3S,5S)-3-(difluoromethoxy)-5-methoxy-N-methylhexan-1-amine
CID 177009454
(3S,5S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
CID 177009862
(3S)-3-(difluoromethoxy)-N-methyl-5-propan-2-yloxyhexan-1-amine
CID 177010189
4,4,4-Trifluoro-3-hexoxybutan-1-amine
CID 43753336

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The IUPAC name of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine (CID 66275961) is N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine.
What is the SMILES notation for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The canonical SMILES for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is CNCCCCCCOC(C)C(F)(F)F.
What is the InChIKey of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
The InChIKey is KKGNSBUZLDDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(10(11,12)13)15-8-6-4-3-5-7-14-2/h9,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine?
N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-amine is sourced from PubChem (CID 66275961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).