N-(2,2-difluorobutyl)adamantan-1-amine

C14H23F2N — CID 158136327

IUPACN-(2,2-difluorobutyl)adamantan-1-amine
SMILESCCC(F)(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2N/c1-2-14(15,16)9-17-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,17H,2-9H2,1H3
InChIKeyGSPYGACNDPMMEH-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.59
Rot. Bonds4

About N-(2,2-difluorobutyl)adamantan-1-amine

N-(2,2-difluorobutyl)adamantan-1-amine (PubChem CID 158136327) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)adamantan-1-amine
PubChem CID158136327
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC NameN-(2,2-difluorobutyl)adamantan-1-amine
SMILESCCC(F)(F)CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H23F2N/c1-2-14(15,16)9-17-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,17H,2-9H2,1H3
InChIKeyGSPYGACNDPMMEH-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,3,3-trifluoropropyl)adamantan-1-amine
CID 64553963
N-[2-(trifluoromethylsulfanyl)ethyl]adamantan-1-amine
CID 116615249
N-(2-methylidenebutyl)adamantan-1-amine
CID 66046867
1-(1-adamantylamino)-N-methylmethanesulfonamide
CID 123878193
N-[3-(2,2,2-trifluoroethoxy)propyl]adamantan-1-amine
CID 61491189
(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol
CID 7419649
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
N-methyladamantan-1-amine
CID 19476
N-(2,3-dichloroprop-2-enyl)adamantan-1-amine
CID 79168192
2-(1-adamantyl)-1,1-diethylhydrazine
CID 57132734
N-(1-adamantylmethyl)-2,2-difluoropropan-1-amine
CID 159327606
N-(cyclopentylmethyl)adamantan-1-amine
CID 61345167

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)adamantan-1-amine?
The IUPAC name of N-(2,2-difluorobutyl)adamantan-1-amine (CID 158136327) is N-(2,2-difluorobutyl)adamantan-1-amine.
What is the SMILES notation for N-(2,2-difluorobutyl)adamantan-1-amine?
The canonical SMILES for N-(2,2-difluorobutyl)adamantan-1-amine is CCC(F)(F)CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,2-difluorobutyl)adamantan-1-amine?
The InChIKey is GSPYGACNDPMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-2-14(15,16)9-17-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,17H,2-9H2,1H3.
What are the key properties of N-(2,2-difluorobutyl)adamantan-1-amine?
N-(2,2-difluorobutyl)adamantan-1-amine has a molecular weight of 243.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)adamantan-1-amine is sourced from PubChem (CID 158136327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).