3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine

C9H16F3NO — CID 130635598

IUPAC3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
SMILESCC1COCCC1NC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-5-14-4-3-8(6)13-7(2)9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyRHKBWKBVMJUGKP-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds2

About 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine

3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine (PubChem CID 130635598) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
PubChem CID130635598
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
SMILESCC1COCCC1NC(C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-5-14-4-3-8(6)13-7(2)9(10,11)12/h6-8,13H,3-5H2,1-2H3
InChIKeyRHKBWKBVMJUGKP-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
N-but-3-yn-2-yl-3-methyloxan-4-amine
CID 130491339
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
CID 164651094
N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 114075327
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
4-N-propan-2-yloxane-3,4-diamine
CID 71741908
N-(3,3-dimethylbutan-2-yl)-2-methylcyclobutan-1-amine
CID 130171585
N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
CID 130676467
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-[(3-methyloxan-4-yl)amino]heptanamide
CID 142976818
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 113260108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine?
The IUPAC name of 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine (CID 130635598) is 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine.
What is the SMILES notation for 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine?
The canonical SMILES for 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine is CC1COCCC1NC(C)C(F)(F)F.
What is the InChIKey of 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine?
The InChIKey is RHKBWKBVMJUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-5-14-4-3-8(6)13-7(2)9(10,11)12/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine?
3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine is sourced from PubChem (CID 130635598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).