1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine

C11H21F3N2 — CID 144662380

IUPAC1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(CN(C)CCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)15-10(4-5-10)8-16(3)7-6-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyDEQUTLOIGYFRAE-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.40
Rot. Bonds6

About 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine

1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine (PubChem CID 144662380) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine
PubChem CID144662380
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(CN(C)CCC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2/c1-9(2)15-10(4-5-10)8-16(3)7-6-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyDEQUTLOIGYFRAE-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine (CID 144662380) is 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine is CC(C)NC1(CN(C)CCC(F)(F)F)CC1.
What is the InChIKey of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is DEQUTLOIGYFRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-9(2)15-10(4-5-10)8-16(3)7-6-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine?
1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 238.30 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 144662380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).