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

C11H19F2N — CID 156748933

IUPACN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H19F2N/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10/h9,14H,2-8H2,1H3
InChIKeyKIWIIIAJXFPRKT-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.81
Rot. Bonds4

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

N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine (PubChem CID 156748933) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine
PubChem CID156748933
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine
SMILESCCCNCC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C11H19F2N/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10/h9,14H,2-8H2,1H3
InChIKeyKIWIIIAJXFPRKT-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.81
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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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-2,2,2-trifluoroethanamine
CID 105753471
(2S)-2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 126716843
2-N-(2,2,2-trifluoroethyl)spiro[3.3]heptane-2,6-diamine
CID 129247523
N-(2,2-difluoroethyl)-4-ethyl-4-methylheptan-1-amine
CID 132160778
(2S)-2-methyl-2-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 134503672
N-(2-methylpropyl)-3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-amine
CID 142474668
2-methyl-2-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
CID 145149418
2,2-difluoro-N-methylspiro[3.3]heptan-6-amine
CID 155016721
2-methyl-2-propan-2-yl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 155198946
N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]ethanamine
CID 155702819
N-[(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)methyl]-2,2,2-trifluoroethanamine
CID 156370299
N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine;molecular hydrogen
CID 156748932

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine (CID 156748933) is N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine is CCCNCC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine?
The InChIKey is KIWIIIAJXFPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-2-3-14-6-9-4-10(5-9)7-11(12,13)8-10/h9,14H,2-8H2,1H3.
What are the key properties of N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine?
N-[(2,2-difluorospiro[3.3]heptan-6-yl)methyl]propan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 156748933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).