N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine

C14H22F3N — CID 113260616

IUPACN-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine
SMILESCC(CC(F)(F)F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22F3N/c1-8(7-14(15,16)17)18-13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13,18H,2-7H2,1H3
InChIKeyVVMMWMOOCIBEOT-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.74
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine

N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine (PubChem CID 113260616) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine
PubChem CID113260616
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine
SMILESCC(CC(F)(F)F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H22F3N/c1-8(7-14(15,16)17)18-13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13,18H,2-7H2,1H3
InChIKeyVVMMWMOOCIBEOT-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyladamantan-2-amine
CID 25334
Tricyclo(3.3.1.1(3,7))decan-1-amine, N-(1-methylethyl)-
CID 19332
N-methyladamantan-2-amine hydrochloride
CID 25333
N1-(adamantan-2-yl)ethane-1,2-diamine
CID 22315744
1-dodecyl-N-ethyladamantan-2-amine
CID 44457362
2-Adamantanamine, N-butyl-, hydrochloride
CID 38256
1-decyl-N-ethyladamantan-2-amine
CID 44457364
(1r,3r,5R,7R)-N-butyltricyclo[3.3.1.1~3,7~]decan-2-amine
CID 38257
N-sec-butyladamantan-1-amine
CID 3010106
N-ethyl-1-hexyladamantan-2-amine
CID 44457374
N-ethyladamantan-2-amine
CID 1538502
DI-Adamantan-2-YL-amine
CID 3725304

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine (CID 113260616) is N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine is CC(CC(F)(F)F)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine?
The InChIKey is VVMMWMOOCIBEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N/c1-8(7-14(15,16)17)18-13-11-3-9-2-10(5-11)6-12(13)4-9/h8-13,18H,2-7H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine?
N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine is sourced from PubChem (CID 113260616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).