N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine

C14H23F2N — CID 159327606

IUPACN-(1-adamantylmethyl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2N/c1-13(15,16)8-17-9-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12,17H,2-9H2,1H3
InChIKeyFTIKCUWMEWFBGM-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.45
Rot. Bonds4

About N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine

N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine (PubChem CID 159327606) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2,2-difluoropropan-1-amine
PubChem CID159327606
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC NameN-(1-adamantylmethyl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)CNCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2N/c1-13(15,16)8-17-9-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12,17H,2-9H2,1H3
InChIKeyFTIKCUWMEWFBGM-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-adamantylmethylamino)propyl-trimethylazanium bromide
CID 171700718
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[2-(1-adamantylmethylamino)-2-oxoethyl]-tert-butylazanium
CID 7071750
(2S)-3-(1-adamantylmethylamino)-2-aminopropan-1-ol
CID 59437168
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
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CID 129294870
1-adamantylmethyl 2-fluoro-2-methylpropanoate
CID 59602420
2-(1-adamantylmethylamino)-1,1-difluoro-2-oxoethanesulfinate
CID 71203109
(2R)-2-(1-adamantylmethylamino)propan-1-ol
CID 7090704
N-(2,2-difluorobutyl)adamantan-1-amine
CID 158136327
(2S)-2-N-(1-adamantylmethyl)propane-1,2-diamine
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1-(1,1,2,2,3,3-hexafluorobutylsulfonylmethyl)adamantane
CID 58122744

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine?
The IUPAC name of N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine (CID 159327606) is N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine?
The canonical SMILES for N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine is CC(F)(F)CNCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine?
The InChIKey is FTIKCUWMEWFBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-13(15,16)8-17-9-14-5-10-2-11(6-14)4-12(3-10)7-14/h10-12,17H,2-9H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine?
N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 159327606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).