N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen

C11H21F2N — CID 156748932

IUPACN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen
SMILESCCCNCC1CC2(C1)CC(F)(F)C2.[H][H]
InChIInChI=1S/C11H19F2N.H2/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10;/h9,14H,2-8H2,1H3;1H
InChIKeyJHTNGXLFTKCGRZ-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.06
Rot. Bonds4

About N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen

N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen (PubChem CID 156748932) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen
PubChem CID156748932
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen
SMILESCCCNCC1CC2(C1)CC(F)(F)C2.[H][H]
InChIInChI=1S/C11H19F2N.H2/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10;/h9,14H,2-8H2,1H3;1H
InChIKeyJHTNGXLFTKCGRZ-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen?
The IUPAC name of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen (CID 156748932) is N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen.
What is the SMILES notation for N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen?
The canonical SMILES for N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen is CCCNCC1CC2(C1)CC(F)(F)C2.[H][H].
What is the InChIKey of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen?
The InChIKey is JHTNGXLFTKCGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.H2/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10;/h9,14H,2-8H2,1H3;1H.
What are the key properties of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen?
N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen has a molecular weight of 205.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen is sourced from PubChem (CID 156748932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).