N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine

C11H17F2N3 — CID 102868865

IUPACN-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESCC(NC1CCCC1n1ccnc1)C(F)F
InChIInChI=1S/C11H17F2N3/c1-8(11(12)13)15-9-3-2-4-10(9)16-6-5-14-7-16/h5-11,15H,2-4H2,1H3
InChIKeyDLULOISXIRYAEY-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.22
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine

N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 102868865) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID102868865
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine
SMILESCC(NC1CCCC1n1ccnc1)C(F)F
InChIInChI=1S/C11H17F2N3/c1-8(11(12)13)15-9-3-2-4-10(9)16-6-5-14-7-16/h5-11,15H,2-4H2,1H3
InChIKeyDLULOISXIRYAEY-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine (CID 102868865) is N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine is CC(NC1CCCC1n1ccnc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is DLULOISXIRYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8(11(12)13)15-9-3-2-4-10(9)16-6-5-14-7-16/h5-11,15H,2-4H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine?
N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 102868865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).