2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine

C12H22F2N2 — CID 167306357

IUPAC2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1CC1C(C)NC1CC1C(F)F
InChIInChI=1S/C12H22F2N2/c1-6(2)15-10-4-8(10)7(3)16-11-5-9(11)12(13)14/h6-12,15-16H,4-5H2,1-3H3
InChIKeyUIMIOACHAOHDMW-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.00
Rot. Bonds6

About 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine

2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine (PubChem CID 167306357) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine
PubChem CID167306357
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1CC1C(C)NC1CC1C(F)F
InChIInChI=1S/C12H22F2N2/c1-6(2)15-10-4-8(10)7(3)16-11-5-9(11)12(13)14/h6-12,15-16H,4-5H2,1-3H3
InChIKeyUIMIOACHAOHDMW-UHFFFAOYSA-N
XLogP2.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine (CID 167306357) is 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine is CC(C)NC1CC1C(C)NC1CC1C(F)F.
What is the InChIKey of 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is UIMIOACHAOHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-6(2)15-10-4-8(10)7(3)16-11-5-9(11)12(13)14/h6-12,15-16H,4-5H2,1-3H3.
What are the key properties of 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine?
2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 232.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(difluoromethyl)cyclopropyl]amino]ethyl]-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 167306357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).