1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine

C10H19F3N2O — CID 82534956

IUPAC1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
SMILESCNC(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-14-9(10(11,12)13)3-2-4-15-5-7-16-8-6-15/h9,14H,2-8H2,1H3
InChIKeyPMXMSLAVTYWHRL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine

1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine (PubChem CID 82534956) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
PubChem CID82534956
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
SMILESCNC(CCCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-14-9(10(11,12)13)3-2-4-15-5-7-16-8-6-15/h9,14H,2-8H2,1H3
InChIKeyPMXMSLAVTYWHRL-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpentyl)morpholine;N,N,2-trimethylpropan-1-amine
CID 142615810
formic acid;4-(4-methylpentyl)morpholine
CID 172564161
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
N-methyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987109
2-methyl-1-(5-methylhexyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111580092
4-(4-piperidin-1-ylhexyl)morpholine
CID 91556845
4-(4-methylnonyl)morpholine
CID 170444016
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
(4S)-4-(tert-butylamino)-2,2-dimethyl-7-morpholin-4-ylheptan-3-one
CID 176762057

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine (CID 82534956) is 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine is CNC(CCCN1CCOCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine?
The InChIKey is PMXMSLAVTYWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-14-9(10(11,12)13)3-2-4-15-5-7-16-8-6-15/h9,14H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine?
1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 82534956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).